3-[4-(Methoxymethyl)benzoyl]cyclopentan-1-one
Basic information
- CAS
1531504-97-8- Standard SMILES
COCc1ccc(C(=O)C2CCC(=O)C2)cc1- InChIKey
ZWSQRJYBJHMISE-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- 3-[4-(Methoxymethyl)benzoyl]cyclopentan-1-one
- IUPAC
- 3-[4-(methoxymethyl)benzoyl]cyclopentan-1-one
Names & synonyms
DTXSID901252653AKOS0181960373-[4-(Methoxymethyl)benzoyl]cyclopentan-1-oneCyclopentanone, 3-[4-(methoxymethyl)benzoyl]-1531504-97-8
Database identifiers
- CAS
1531504-97-8- PubChem CID
- 79639349
- DTXSID
DTXSID901252653
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
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Compound notes
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