Consensus flow list

Identity

Type
Neutral molecule
CAS
5669-19-2
EC
438-550-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-benzylacrylic Acid

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RYNDYESLUKWOEE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
IUPAC name chemrof:IUPAC_name 2-benzylacrylic Acid
Molecular formula chemrof:molecular_formula C10H10O2
Molecular mass chemrof:molecular_mass 162.188
Monoisotopic mass chemrof:monoisotopic_mass 162.06808
SMILES string chemrof:smiles_string C=C(Cc1ccccc1)C(=O)O

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=5669-19-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.540 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.013 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60972138 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=192640 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3799698 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EWV0S2AX5B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J81.073H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/303571 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72440533 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
425a1747-b838-48d4-9cb6-213e33d5086e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
80bdec8b-badf-4f21-99c8-b258f325fd90 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
db5fea7a-f332-43e1-ae44-19039f7cfa73 Environmental → Air → Indoor EF 3.1 kg 2
0c848237-0afa-4ef7-98fa-742f4da9034c Environmental → Air → Long-term EF 3.1 kg 0
9b221221-0b7f-442d-ae92-5c68e7d7c1e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9b16360b-4731-441b-91d5-40818101a2de Environmental → Air → Unknown EF 3.1 kg 2
87fd791f-255c-48f6-81ef-c2cfdd6b8556 Environmental → Ground → Agricultural EF 3.1 kg 2
8792799b-5789-47e0-aca5-a830d7220030 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ce6c2a0b-fd26-47f5-a828-0c37a99cd839 Environmental → Ground → Unknown EF 3.1 kg 2
500e59e8-4ba0-46f7-94d7-1f07c9e2fa4a Environmental → Water → Long-term EF 3.1 kg 0
d307a803-121e-4ec4-9d58-d9a73be819e5 Environmental → Water → Ocean EF 3.1 kg 2
0d963346-eb95-4881-b818-5239bf0e451d Environmental → Water → Surface water EF 3.1 kg 2
a37c55e9-e82f-4bcb-b608-84dc6648ad5f 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-16bde77e21888bd4",
  "prefLabel": [
    {
      "@value": "2-benzylacrylic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Benzylprop-2-enoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methylene-3-phenylpropanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenepropanoic acid, α-methylene-",
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      }
    },
    {
      "@value": "Hydrocinnamic acid, α-methylene-",
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}

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