Consensus flow list

Identity

Type
Neutral molecule
CAS
105-56-6
EC
203-309-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl Cyanoacetate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZIUSEGSNTOUIPT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name Ethyl Cyanoacetate
Molecular formula chemrof:molecular_formula C5H7NO2
Molecular mass chemrof:molecular_mass 113.116
Monoisotopic mass chemrof:monoisotopic_mass 113.047678
SMILES string chemrof:smiles_string CCOC(=O)CC#N

Known URLs

12

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=105-56-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.009 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026718 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8844 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186698 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X9N006U0F8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.031B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7764 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3276 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=580045 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1146961 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_cyanoacetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
545f9d75-e0d9-403e-83ff-cb2a05f8d163 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8f3a124b-f577-49e9-ba32-92fedf6daf46 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
df69c316-1470-4263-82ad-7364c0509adc Environmental → Air → Indoor EF 3.1 kg 2
054e10d3-629d-4783-9d96-73c25c515748 Environmental → Air → Long-term EF 3.1 kg 0
7346f192-452a-40bc-a0c9-15f3690381fc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
373c968f-7c2d-46eb-972c-29c0d790a16f Environmental → Air → Unknown EF 3.1 kg 2
98ca7137-a3e2-4ee7-8794-5b15ea2df35a Environmental → Ground → Agricultural EF 3.1 kg 2
23940bc4-df70-4d1a-8ac5-ecca31dd6c98 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a8dff838-6adb-47be-b2b4-fe995b31135a Environmental → Ground → Unknown EF 3.1 kg 2
7c948e6b-470f-4047-b932-75664733182f Environmental → Water → Long-term EF 3.1 kg 0
04e13e21-d3d7-48ba-b818-fcd41db18a07 Environmental → Water → Ocean EF 3.1 kg 2
51afbb7c-4262-4bad-bdf5-8be9a7ecad35 Environmental → Water → Surface water EF 3.1 kg 2
ddc6d8d9-753b-404e-9670-5102767b2080 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
{
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  "altLabel": [
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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "203-309-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=203-309-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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