Basic information
- Standard SMILES
O=C1CCC(C(=O)OCc2ccccc2)C1- InChIKey
UJDODTGHYKJEAA-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Benzyl 3-oxocyclopentanecarboxylate
- IUPAC
- benzyl 3-oxocyclopentane-1-carboxylate
Names & synonyms
BENZYL 3-OXOCYCLOPENTANECARBOXYLATEMFCD16036435benzyl 3-oxocyclopentane-1-carboxylateCYCLOPENTANECARBOXYLIC ACID, 3-OXO-, PHENYLMETHYLESTERSCHEMBL564309UJDODTGHYKJEAA-UHFFFAOYSA-NBENZYL3-OXOCYCLOPENTANECARBOXYLATEBS-45099SY280348DB-1189933-oxocyclopentanecarboxylic acid benzyl ester3-oxo-cyclopentanecarboxylic acid benzyl ester
Show more names
F71943F863271
Database identifiers
- PubChem CID
- 14530748
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
5 records
Compound notes
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