Consensus flow list

Identity

Type
Neutral molecule
CAS
7159-96-8
EC
615-309-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl-n-(3-hydroxyphenyl)-carbamateethyl 3-hydroxyphenylcarbamate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KCLZXXMMEDEBMF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)
IUPAC name chemrof:IUPAC_name (3-Hydroxyphenyl)carbamic acid ethyl ester
Molecular formula chemrof:molecular_formula C9H11NO3
Molecular mass chemrof:molecular_mass 181.191
Monoisotopic mass chemrof:monoisotopic_mass 181.073893
SMILES string chemrof:smiles_string CCOC(=O)Nc1cccc(O)c1

Known URLs

7

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=7159-96-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6064581 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=222551 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4X2HYG86P1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.849C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23548 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260621 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
432c367e-7993-480d-9de2-a3231c6ba073 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c1bf9cb7-f481-4929-b381-37d5f456595f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a1c68a6d-7522-4af9-892c-8fd45cc11b30 Environmental → Air → Indoor EF 3.1 kg 2
440508d6-337e-4d01-9e83-5996b83f4f42 Environmental → Air → Long-term EF 3.1 kg 0
1ca5bb29-c366-4be4-8755-ca5f28c4237e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c4b7b23d-c442-42fd-9d4a-26df006bff8a Environmental → Air → Unknown EF 3.1 kg 2
602e3e99-bc86-4fae-b585-6ca9ca83e03b Environmental → Ground → Agricultural EF 3.1 kg 2
b2963109-5626-4529-a814-ce2573a2868a Environmental → Ground → Non-agricultural EF 3.1 kg 2
5ba715e5-8d72-404e-ba02-b43b5c2703a8 Environmental → Ground → Unknown EF 3.1 kg 2
5444f798-2835-431d-af04-dabba9428122 Environmental → Water → Long-term EF 3.1 kg 0
4b9ff2a4-9e33-493d-931a-7be8f737f8bc Environmental → Water → Ocean EF 3.1 kg 2
93f35aeb-8a07-490b-926b-d4b1023eed52 Environmental → Water → Surface water EF 3.1 kg 2
fae0df4d-551b-418a-af7a-b39e2f05f3d1 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-731f31a2b715ec6e",
  "prefLabel": [
    {
      "@value": "Ethyl-n-(3-hydroxyphenyl)-carbamateethyl 3-hydroxyphenylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Hydroxyphenyl)carbamic acid ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Ethoxycarbonylamino)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Carbethoxyaminophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Ethyloxycarbonylaminophenol",
      "@language": "en",
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      }
    },
    {
      "@value": "Carbamic acid, (3-hydroxyphenyl)-, ethyl ester",
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      }
    },
    {
      "@value": "Carbamic acid, N-(3-hydroxyphenyl)-, ethyl ester",
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      }
    },
    {
      "@value": "Carbanilic acid, m-hydroxy-, ethyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Carbanilic acid, m-hydroxy-, ethyl esters",
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    },
    {
      "@value": "Ethyl (m-hydroxyphenyl)carbamate",
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    {
      "@value": "Ethyl 3-hydroxycarbanilate",
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}

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