Consensus flow list

Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

fo-db771df78d65c8f3

Identity

Type
Neutral molecule
CAS
6289-46-9
EC
228-528-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MHKKFFHWMKEBDW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Molecular formula chemrof:molecular_formula C10H12O6
Molecular mass chemrof:molecular_mass 228.2
Monoisotopic mass chemrof:monoisotopic_mass 228.063388
SMILES string chemrof:smiles_string COC(=O)C1CC(=O)C(C(=O)OC)CC1=O

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=6289-46-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.936 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027617 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=122567 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5670 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185753 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J160.439B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94866 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q63148709 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
30ca47e3-b69d-4b47-bcf8-d352446687a1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c06f7375-e013-46b6-9366-d885dff3fa7c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d850930d-8b82-46fe-b28a-2f7d22365400 Environmental → Air → Indoor EF 3.1 kg 2
1036c7c6-bd72-48e5-9cca-f86cf489ee80 Environmental → Air → Long-term EF 3.1 kg 0
e8dfd225-1a05-4c1e-97df-436550923fc3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
029ca4ed-75b1-4e8b-b756-ff9e3798574e Environmental → Air → Unknown EF 3.1 kg 2
f0bf6f48-febd-4285-b1c4-cd2f485790f3 Environmental → Ground → Agricultural EF 3.1 kg 2
9fba23c5-6fcb-4557-a74d-6da23370bd10 Environmental → Ground → Non-agricultural EF 3.1 kg 2
11512466-e81b-47ba-beaf-7307ac122221 Environmental → Ground → Unknown EF 3.1 kg 2
6e6ce5c6-d189-40b8-814d-c8290ef236f9 Environmental → Water → Long-term EF 3.1 kg 0
35cf6f57-222f-46cd-8b07-fbb3fea4b55e Environmental → Water → Ocean EF 3.1 kg 2
47fcae41-aa21-4767-b687-ae766df550d9 Environmental → Water → Surface water EF 3.1 kg 2
e1225248-6834-4538-8650-90d5b6893006 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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