Basic information
- Standard SMILES
CC(=O)O[C@@H](C)C#CC(=O)O- InChIKey
DOHKWKMDHWDMMQ-YFKPBYRVSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
Names & identifiers
- Preferred name
- (S)-4-acetoxypent-2-ynoic acid
- IUPAC
- (4S)-4-acetyloxypent-2-ynoic acid
Names & synonyms
SCHEMBL1614629(S)-4-acetoxypent-2-ynoic acidDOHKWKMDHWDMMQ-YFKPBYRVSA-N
Database identifiers
- PubChem CID
- 59552181
- Nikkaji
- J2.297.198K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Related reactions
2 records
Compound notes
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