Basic information
- CAS
5239-43-0- Standard SMILES
O=C(O)CCCCCCC1=CCCC1=O- InChIKey
LBOKTHVXIPFAJO-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559444
Overview
inhibitor of platelet aggregation; structure
Names & identifiers
- Preferred name
- 5-Oxo-1-cyclopentene-1-heptanoic acid
- IUPAC
- 7-(5-oxocyclopenten-1-yl)heptanoic acid
- English name
- 5-oxocyclopent-1-ene-1-heptanoic acid
- Molecular formula
- C12H18O3
- Molecular weight
- 210.26952
Names & synonyms
5239-43-05-Oxo-1-cyclopentene-1-heptanoic acidAY 16804DTXSID00200402AY-16804AY-16,804RefChem:115861DTXCID60122893226-039-55-Oxocyclopent-1-ene-1-heptanoic acid7-(5-oxocyclopenten-1-yl)heptanoic acid7-(5-oxocyclopent-1-en-1-yl)heptanoic acid
Show more names
1-Cyclopentene-1-heptanoic acid, 5-oxo-EINECS 226-039-5BRN 2211467starbld0002130orb1740326SCHEMBL103434382-(6-carboxyhexyl)-2-cyclopentenone7-(5-oxocyclopentenyl)-heptanoic acid
Database identifiers
- CAS
5239-43-0- PubChem CID
- 78902
- DTXSID
DTXSID00200402- EC Number
- 226-039-5
- Nikkaji
- J297.954C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
34 records
Compound notes
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