Consensus flow list

Identity

Type
Neutral molecule
CAS
12108-13-3
EC
235-166-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tricarbonyl(methyl-η5- Cyclopentadienyl)manganese

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BWEUZSRDTRCASX-UHFFFAOYSA-N, DNMGTQRSVXYUHK-UHFFFAOYSA-N, FOIZRFNUXDWKNV-UHFFFAOYSA-N, IKAJRTVRINTIIP-UHFFFAOYSA-N, IYSGJCJSRBFZSZ-UHFFFAOYSA-N, LYHJNAIHGFWRKM-UHFFFAOYSA-N, MOLBIOHXCKMLTC-UHFFFAOYSA-N, NWXJGQKPHZUZAR-UHFFFAOYSA-N, OEPJKCMPNXJKAE-UHFFFAOYSA-N, OTMVVLKSEVBNCX-UHFFFAOYSA-N, RGEZHZRUQVDILM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;
IUPAC name chemrof:IUPAC_name (Methylcyclopentadienyl)tricarbonylmanganese
Molecular formula chemrof:molecular_formula C9H10MnO3-4, C9H12MnO3, C9H13MnO3-, C9H14MnO3, C9H15MnO3+3, C9H3MnO3-5, C9H7MnO3, C9H7MnO3-, C9H8MnO3, C9H9MnO3-
SMILES string chemrof:smiles_string C[C]1([Mn](=[C]=O)(=[C]=O)=[C]=O)C=CC=C1

Known URLs

16

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=12108-13-3 enrich_references.consensus_cas_link
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22316 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1E52JN2L3I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10921955 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/117060981 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118987178 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131675772 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131676252 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162422580 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170920159 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19593970 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/25511 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5150494 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66545312 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92000646 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q158568 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7513e7a7-e5aa-41a1-b863-126028eb4f9d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9ad28b38-24cf-458a-a858-6dc9cf7de66f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
263dc428-67f7-4fcd-b7ba-88889d3f6b18 Environmental → Air → Indoor EF 3.1 kg 2
0adfc538-7ba8-492d-be5d-b6a289344755 Environmental → Air → Long-term EF 3.1 kg 0
389226fe-5502-4e31-a36d-3f91ed69005d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d1e72cd-4d76-4539-a237-afb1cab42f78 Environmental → Air → Unknown EF 3.1 kg 2
7da69093-fe55-4fe3-b5f7-a964500345a5 Environmental → Ground → Agricultural EF 3.1 kg 2
34c85fa6-b882-4eee-9300-d369f56fe7d1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
07b3be80-5d78-4d20-9e7d-9e942cd877e0 Environmental → Ground → Unknown EF 3.1 kg 2
9a97db8b-c2e0-42fd-9e9f-5a2e92206477 Environmental → Water → Long-term EF 3.1 kg 0
d434b158-4c36-47e9-9c00-db815165883d Environmental → Water → Ocean EF 3.1 kg 2
34b4ffb3-ef85-463e-b5dd-133edbd3a15a Environmental → Water → Surface water EF 3.1 kg 2
0bc461e7-1298-416e-b8c0-d724260e5616 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d60a65e7ef3de009",
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      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(Methylcyclopentadienyl)tricarbonylmanganese",
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      }
    },
    {
      "@value": "2-Methylcyclopentadienylmanganese tricarbonyl",
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    },
    {
      "@value": "Ethyl MMT",
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      }
    },
    {
      "@value": "Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-",
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      }
    },
    {
      "@value": "Manganese, tricarbonyl(methylcyclopentadienyl)-",
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      }
    },
    {
      "@value": "Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-",
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      }
    },
    {
      "@value": "Methylcyclopentadienylmanganese tricarbonyl",
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      }
    },
    {
      "@value": "Methylcymantrene",
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    },
    {
      "@value": "MMT",
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    },
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    {
      "@value": "Tricarbonyl(η5-methylcyclopentadienyl)manganese",
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    },
    {
      "@value": "Tricarbonyl(η5-methylcyclopentadienyl)manganese(I)",
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    },
    {
      "@value": "Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese",
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      }
    },
    {
      "@value": "π-Methylcyclopentadienylmanganese tricarbonyl",
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  ],
  "properties": {
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      "@value": [
        "C9H10MnO3-4",
        "C9H12MnO3",
        "C9H13MnO3-",
        "C9H14MnO3",
        "C9H15MnO3+3",
        "C9H3MnO3-5",
        "C9H7MnO3",
        "C9H7MnO3-",
        "C9H8MnO3",
        "C9H9MnO3-"
      ],
      "attested_by": {
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        "C9H13MnO3-": [
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        ],
        "C9H14MnO3": [
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        ],
        "C9H15MnO3+3": [
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        ],
        "C9H3MnO3-5": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H7MnO3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C9H7MnO3-": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H8MnO3": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H9MnO3-": [
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        ]
      },
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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      "rdfs:label": "SMILES",
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      }
    }
  },
  "references": [
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