Consensus flow list

Identity

Type
Neutral molecule
CAS
104-55-2
EC
203-213-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-phenylacrylaldehyde

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KJPRLNWUNMBNBZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
IUPAC name chemrof:IUPAC_name 3-phenylacrylaldehyde
Molecular formula chemrof:molecular_formula C9H8O
Molecular mass chemrof:molecular_mass 132.162
Monoisotopic mass chemrof:monoisotopic_mass 132.05751, 132.057515
SMILES string chemrof:smiles_string O=CC=Cc1ccccc1

Known URLs

2

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=104-55-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142921 enrich_references.chebi_id_link

Elementary flows

13
Flow Context Source Unit CFs
173d7dc3-5c85-4df8-9f76-12ddda9c353d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4a0b19c2-1e8a-44a3-a661-295096f2e57a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
62994d1c-37a8-49cb-a438-f66b138f903e Environmental → Air → Indoor EF 3.1 kg 2
79a072f2-020f-42b2-a40e-f653dd61ffff Environmental → Air → Long-term EF 3.1 kg 0
adb79d22-85f7-47fc-aed4-b7b6bb6a46e9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c9d7346a-166d-4195-b553-b0d1b5db053e Environmental → Air → Unknown EF 3.1 kg 2
aafca4c7-4ed6-4adb-903d-903b9963f8fd Environmental → Ground → Agricultural EF 3.1 kg 2
5478ab1f-4fd5-45de-9c62-8b19ac3d0c51 Environmental → Ground → Non-agricultural EF 3.1 kg 2
67f8b40e-a7d4-41a3-85fb-9d7ba9c7b070 Environmental → Ground → Unknown EF 3.1 kg 2
cae3ae85-908b-47e2-b97c-98a4718a2fc9 Environmental → Water → Long-term EF 3.1 kg 0
90464b09-ae11-4395-bbdc-6f49861c5016 Environmental → Water → Ocean EF 3.1 kg 2
c54d7920-35ff-4a86-a2c2-7b9e23aa53d7 Environmental → Water → Surface water EF 3.1 kg 2
1bce6ea1-e042-4183-b00e-4cc2360e2907 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-1c076997cee80359",
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  ],
  "altLabel": [
    {
      "@value": "2-Propenal, 3-phenyl-",
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      "@value": "3-Phenyl-2-propen-1-al",
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    {
      "@value": "3-Phenyl-2-propenal",
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      "@value": "3-Phenyl-2-propenaldehyde",
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    {
      "@value": "A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name \"cinnamaldehyde\" is widely used to refer to the E (trans) isomer.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_142921"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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