Basic information
- Standard SMILES
O=C(O)CCCC1CCCC1=O- InChIKey
QWRLDLXYFIADDN-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
Names & identifiers
- Preferred name
- Butanoic acid, 4-(2-oxocyclopentyl)-
- IUPAC
- 4-(2-oxocyclopentyl)butanoic acid
Names & synonyms
Butanoic acid, 4-(2-oxocyclopentyl)-SCHEMBL80832784-(2-Oxocyclopentyl)butanoic acid #2-(3-carboxypropyl)cyclopentan-1-one
Database identifiers
- PubChem CID
- 558495
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
42 records
Compound notes
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