2-Oxocyclopentaneheptanoic acid
Basic information
- CAS
5288-67-5- Standard SMILES
O=C(O)CCCCCCC1CCCC1=O- InChIKey
RPUNGFMSPXJEDK-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- 2-Oxocyclopentaneheptanoic acid
- IUPAC
- 7-(2-oxocyclopentyl)heptanoic acid
Names & synonyms
2-Oxocyclopentaneheptanoic acid5288-67-5Cyclopentane-2-oxo-1-heptanoic acid2-Ketocyclopentane-1-heptanoic acidDTXSID401303786RefChem:129845DTXCID4017338167-(2-Oxocyclopentyl)heptanoic acid2-(6-Carboxyhexyl)cyclopentanoneCyclopentaneheptanoic acid, 2-oxo-NSC 151785BRN 2212084
Show more names
SCHEMBL10686638RPUNGFMSPXJEDK-UHFFFAOYSA-N7(2-oxocyclopentyl)-heptanoic acid7-(2-oxocyclopentyl)-heptanoic acidNSC151785NSC-151785
Database identifiers
- CAS
5288-67-5- PubChem CID
- 98947
- DTXSID
DTXSID401303786
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
- 223
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Related reactions
3 records
Compound notes
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