Basic information
- CAS
88280-53-9- Standard SMILES
C[C@@H](O)CC(=O)OCc1ccccc1- InChIKey
VIQYYDLSPZAIJW-SECBINFHSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Benzyl (R)-3-hydroxybutanoate
- IUPAC
- benzyl (3R)-3-hydroxybutanoate
Names & synonyms
88280-53-9Benzyl (R)-3-hydroxybutanoate(R)-Benzyl 3-hydroxybutanoatebenzyl (3R)-3-hydroxybutanoateButanoic acid, 3-hydroxy-, phenylmethyl ester, (R)-SCHEMBL9340087DTXSID60464705SY528891CS-0137410I83291F619003
Database identifiers
- CAS
88280-53-9- PubChem CID
- 11401302
- DTXSID
DTXSID60464705- Nikkaji
- J734.293D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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