Basic information
- CAS
60719-21-3- Standard SMILES
O=C(O)CCC1CCCCC(=O)C1- InChIKey
PDGFFHAPQLYXFP-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- 3-(3-Oxocycloheptyl)propanoic acid
- IUPAC
- 3-(3-oxocycloheptyl)propanoic acid
Names & synonyms
3-(3-Oxocycloheptyl)propanoic acid60719-21-3DTXSID30821649
Database identifiers
- CAS
60719-21-3- PubChem CID
- 71400366
- DTXSID
DTXSID30821649
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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