Basic information
- Standard SMILES
CC(=O)O[C@H](CBr)CC(=O)O- InChIKey
RYWNWBFHMUEPNO-YFKPBYRVSA-N- Molecular formula
- C6H9BrO4
- Average molar mass
- 225.04 g/mol
Names & identifiers
- Preferred name
- (3S)-3-acetyloxy-4-bromobutanoic acid
- IUPAC
- (3S)-3-acetyloxy-4-bromobutanoic acid
Names & synonyms
191354-44-6(3S)-3-acetyloxy-4-bromobutanoic acid(S)-3-ACETOXY-4-BROMOBUTANOIC ACIDButanoic acid, 3-(acetyloxy)-4-bromo-, (3S)-(R)-3-Acetoxy-4-bromobutanoic acid(3S)-3-(ACETYLOXY)-4-BROMOBUTANOIC ACID(S)-3-ACETOXY-4-BROMOBUTYRIC ACIDButanoic acid,3-(acetyloxy)-4-bromo-,(3S)-SCHEMBL4928056RYWNWBFHMUEPNO-YFKPBYRVSA-N949899-86-9
Database identifiers
- PubChem CID
- 2733880
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
12 records
Compound notes
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