Consensus flow list

1,4-Cyclohexanedicarboxylic acid

fo-7f741515f76baca8

Identity

Type
NeutralMolecule
CAS
1076-97-7
EC
214-068-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1,4-Cyclohexanedicarboxylic acid

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PXGZQGDTEZPERC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
IUPAC name chemrof:IUPAC_name 1,4-Cyclohexanedicarboxylic acid
Molecular formula chemrof:molecular_formula C8H12O4
Molecular mass chemrof:molecular_mass 172.18
Monoisotopic mass chemrof:monoisotopic_mass 172.073559, 172.07356
SMILES string chemrof:smiles_string O=C(O)C1CCC(C(=O)O)CC1

Known URLs

23

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=1076-97-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145052 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.651 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.790 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.204.580 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001290604 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2038788 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901031536 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=61121 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=621 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187151 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/18W55738KH enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/68QED0R44U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.184J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.750B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.751K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14106 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16471975 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24821219 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29673054 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30044524 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q72459634 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,4-Cyclohexanedicarboxylic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e8d4aeb7-05bd-43f8-9ed1-4aecf8971406 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8024e549-2795-459b-8836-a7038ee6a923 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f599d7a1-67d5-4b91-b27e-1d3ab96edd6f Environmental → Air → Indoor EF 3.1 kg 4
52ae0ec9-9cf7-4aa1-95fa-8936bd7a1b0d Environmental → Air → Long-term EF 3.1 kg 0
295a8a56-ec89-4737-ade3-a87affbf7a2e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08b4d69f-104f-425b-aac4-b36762d2fe4a Environmental → Air → Unknown EF 3.1 kg 4
38f103fc-f2d6-48a9-9fb0-ea04e2de1d0f Environmental → Ground → Agricultural EF 3.1 kg 4
75471a51-75c5-4504-91eb-4656ebf5f29e Environmental → Ground → Non-agricultural EF 3.1 kg 4
874a1918-81e1-4c76-8b6f-6dc8150a1e9f Environmental → Ground → Unknown EF 3.1 kg 4
effc5839-5568-48a2-9c85-5cb4b3bc1809 Environmental → Water → Long-term EF 3.1 kg 0
be1bddad-71c9-474d-9d23-40f9deb7bf05 Environmental → Water → Ocean EF 3.1 kg 4
b33827a5-222e-4220-a762-c9b0027215c1 Environmental → Water → Surface water EF 3.1 kg 4
06f72106-e0ae-40b7-b79c-71894d8dcf97 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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