Consensus flow list

1-methoxy-4-prop-1-en-1-ylbenzene

fo-28fa0836e1b14479

Identity

Type
NeutralMolecule
CAS
4180-23-8
EC
224-052-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1-methoxy-4-prop-1-en-1-ylbenzene

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RUVINXPYWBROJD-ONEGZZNKSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C/c1ccc(OC)cc1
IUPAC name chemrof:IUPAC_name (E)-1-(4-Methoxyphenyl)propene
Molecular formula chemrof:molecular_formula C10H12O
Molecular mass chemrof:molecular_mass 148.205
Monoisotopic mass chemrof:monoisotopic_mass 148.088815, 148.08882
SMILES string chemrof:smiles_string CC=Cc1ccc(OC)cc1

Known URLs

9

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
bpdb bpdb:2339 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4180-23-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35616 enrich_references.chebi_id_link
HMDB https://hmdb.ca/metabolites/HMDB0030837 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C10428 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02377 enrich_references.chebi_xrefs
knapsack knapsack:C00002713 enrich_references.chebi_xrefs
reaxys reaxys:636190 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Anethole enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
683ca4a5-32b4-437d-bd69-2981612bc78d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1bdc13dd-bb9e-4467-8155-b1f1c9e8da35 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8b30c015-403c-41ff-8f4a-eb8ddfb23ae6 Environmental → Air → Indoor EF 3.1 kg 4
ef71c03f-da04-45e0-ba5a-e3f65814884d Environmental → Air → Long-term EF 3.1 kg 0
da91ee22-9fe6-4f0c-961a-5520b5384340 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e91a1c2a-b9f7-457a-8214-a27ba5293c55 Environmental → Air → Unknown EF 3.1 kg 4
d80d3d9d-c475-4c18-a33b-6bf2d021c5ba Environmental → Ground → Agricultural EF 3.1 kg 4
b4a033c8-a83b-4735-a981-6a96886453b2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a88617e0-ae1d-4fca-8d9c-1990146b6a2a Environmental → Ground → Unknown EF 3.1 kg 4
65d5edc5-79ce-4650-97f0-716adb48cfdb Environmental → Water → Long-term EF 3.1 kg 0
a29d57ac-6ce8-47a6-851f-77a6f3f34d79 Environmental → Water → Ocean EF 3.1 kg 4
6f8d6e8f-0267-441a-a7ff-a091790c5ec8 Environmental → Water → Surface water EF 3.1 kg 4
31ef6fbd-3531-497c-87b4-de182eb2f9e2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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