Basic information
- CAS
207985-74-8- Standard SMILES
O=C1C[C@H](OC(=O)c2ccccc2)CO1- InChIKey
VLDYBOFCEJPWOJ-VIFPVBQESA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- (S)-beta-Benzoyloxy-gamma-butyrolactone
- IUPAC
- [(3S)-5-oxooxolan-3-yl] benzoate
Names & synonyms
(S)-beta-Benzoyloxy-gamma-butyrolactone207985-74-8DTXSID60434882RefChem:211133DTXCID00385708(3S)-5-OXOOXOLAN-3-YL BENZOATESCHEMBL2696973VLDYBOFCEJPWOJ-VIFPVBQESA-N
Database identifiers
- CAS
207985-74-8- PubChem CID
- 10058799
- DTXSID
DTXSID60434882- Nikkaji
- J2.667.290B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
6 records
Compound notes
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