Consensus flow list

Identity

Type
Neutral molecule
CAS
3096-50-2
EC
668-194-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-(9-oxo-2-fluorenyl)acetamide

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PYGNVSDRIIPHQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H11NO2/c1-9(17)16-10-6-7-12-11-4-2-3-5-13(11)15(18)14(12)8-10/h2-8H,1H3,(H,16,17)
IUPAC name chemrof:IUPAC_name N-(9-oxo-2-fluorenyl)acetamide
Molecular formula chemrof:molecular_formula C15H11NO2
Molecular mass chemrof:molecular_mass 237.258
Monoisotopic mass chemrof:monoisotopic_mass 237.078979
SMILES string chemrof:smiles_string CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2

Known URLs

10

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=3096-50-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.194.109 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021088 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=12369 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229648 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL417970 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QNU02OXK1F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.433B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18355 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983730 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1f314b97-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9a26-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b8ee89eb-86da-4ca7-9eb3-bc9dacc286d3 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad45-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9a27-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad44-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad42-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9a2b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad43-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9a29-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9a2c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9a28-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9a2a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-086baa1c9e6dde70",
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  ],
  "altLabel": [
    {
      "@value": "2-Acetamido-9-fluorenone",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Acetylaminofluoren-9-one",
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    },
    {
      "@value": "Acetamide, N-(9-oxo-9H-fluoren-2-yl)-",
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}

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