Basic information
- Standard SMILES
COCC[C@H](OC(C)=O)C(=O)O- InChIKey
AAJSSJPXQWNCKZ-LURJTMIESA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
Names & identifiers
- Preferred name
- (S)-2-acetoxy-4-methoxybutanoic acid
- IUPAC
- (2S)-2-acetyloxy-4-methoxybutanoic acid
Names & synonyms
SCHEMBL839295AAJSSJPXQWNCKZ-LURJTMIESA-N(S)-2-acetoxy-4-methoxybutanoic acid
Database identifiers
- PubChem CID
- 57504606
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
2 records
Compound notes
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