Consensus flow list

Identity

Type
Neutral molecule
CAS
544-25-2
EC
208-866-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cycloheptatriene

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CHVJITGCYZJHLR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
IUPAC name chemrof:IUPAC_name Cycloheptatriene
Molecular formula chemrof:molecular_formula C7H8
Molecular mass chemrof:molecular_mass 92.141
Monoisotopic mass chemrof:monoisotopic_mass 92.0626
SMILES string chemrof:smiles_string C1=CC=CCC=C1

Known URLs

17

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=544-25-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37519 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.061 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5073909 enrich_references.pubchem_identifier_url
gmelin gmelin:1943 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P58Q106NTF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.160G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.695.164J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55608 enrich_references.pubchem_identifier_url
patent patent:WO2011123198 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11000 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2603 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23764564 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24011338 enrich_references.chebi_xrefs
reaxys reaxys:506066 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421640 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cycloheptatriene enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4cf4f012-0a35-4bcf-a5ca-43cea902e1c2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
caff1cc0-fe9a-4fd8-b23d-84071a971bb0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ffaf71fb-725d-40f7-b79e-70a875a56b3d Environmental → Air → Indoor EF 3.1 kg 2
6de1ff76-eb81-40ba-bdae-19edba2b1614 Environmental → Air → Long-term EF 3.1 kg 0
13c8ac79-4e8b-45b4-a902-1d91f2322f3f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e6bf1aca-ebee-46ba-91d3-e170b3116daf Environmental → Air → Unknown EF 3.1 kg 2
94241096-4b1f-41b7-93c6-36b2a564b1fb Environmental → Ground → Agricultural EF 3.1 kg 2
5ca7006c-d676-4ae2-8a18-51649bb0e4a2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a3315ee5-62b9-4839-88f6-b5a1090a34c0 Environmental → Ground → Unknown EF 3.1 kg 2
7c995bd4-0a2f-498f-b015-1344a6cf79fe Environmental → Water → Long-term EF 3.1 kg 0
c8c56541-746a-4bd1-a4f3-527df3e8f986 Environmental → Water → Ocean EF 3.1 kg 2
2f02c3a9-ac09-430b-a2d5-504a6ea1b04e Environmental → Water → Surface water EF 3.1 kg 2
6fc28df3-094e-46ac-b80f-c036b627dcee 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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}

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