Brightway Flows 1.0
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4-methoxy-3-nitrobenzoic Acid

fo-2094531cc96abb4f

Identity

Type
Neutral molecule
CAS
89-41-8
EC
201-906-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-methoxy-3-nitrobenzoic Acid

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ANXBDAFDZSXOPQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name 4-methoxy-3-nitrobenzoic Acid
Molecular formula chemrof:molecular_formula C8H7NO5
Molecular mass chemrof:molecular_mass 197.146
Monoisotopic mass chemrof:monoisotopic_mass 197.032422
SMILES string chemrof:smiles_string COc1ccc(C(=O)O)cc1[N+](=O)[O-]

Known URLs

8

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=89-41-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.733 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0058988 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=29085 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DD71O31OLZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.056D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66640 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27276338 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e4bec715-f733-49b0-b62a-9cb3959a1351 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e7caaf5c-0c9b-434d-a24a-e84c2983d5ff Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4c59498f-1f4a-4107-ba9b-57b5f63a19ad Environmental → Air → Indoor EF 3.1 kg 2
598ba677-cf67-4014-8b5f-438c2ee10400 Environmental → Air → Long-term EF 3.1 kg 0
ea913435-3576-4142-992f-f942073b9999 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0dbadfa8-7d94-4624-bfad-08af2eaa0c77 Environmental → Air → Unknown EF 3.1 kg 2
3682d362-18d3-4e6e-8f39-8e6315778ec6 Environmental → Ground → Agricultural EF 3.1 kg 2
3737a273-21cf-48cd-abb6-f98d0704ddc3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f7ddad4d-04f2-461a-868d-8800448fc3b4 Environmental → Ground → Unknown EF 3.1 kg 2
8b8cd2a5-41fa-4889-a21d-aed2688f89e3 Environmental → Water → Long-term EF 3.1 kg 0
ecc0d363-cb4d-4a4c-b7d8-6d5800939835 Environmental → Water → Ocean EF 3.1 kg 2
060e2a5e-1a82-4476-b396-9fc8c60c6fef Environmental → Water → Surface water EF 3.1 kg 2
b75d85c7-aed8-473f-a306-2a5838c7e327 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-2094531cc96abb4f",
  "prefLabel": [
    {
      "@value": "4-methoxy-3-nitrobenzoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-Nitro-4-methoxybenzoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-41-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Nitro-p-anisic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-41-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-methoxy-3-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Anisic acid, 3-nitro-",
      "@language": "en",
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    },
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    },
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      },
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    }
  },
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}

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