Basic information
- CAS
109138-72-9- Standard SMILES
CC(=O)CC(O)CC(=O)O- InChIKey
APWDZEIBFNZVND-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Overview
3-hydroxy-5-oxohexanoic acid is a 5-oxo monocarboxylic acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 3-hydroxy-5-oxohexanoate.
Names & identifiers
- Preferred name
- 3-Hydroxy-5-oxohexanoic acid
- IUPAC
- 3-hydroxy-5-oxohexanoic acid
Names & synonyms
3-Hydroxy-5-oxohexanoic acid3-Hydroxy-5-ketohexanoic acid109138-72-9CHEBI:37032RefChem:94199SCHEMBL2592557Hexanoic acid, 3-hydroxy-5-oxo-Q27117016
Database identifiers
- CAS
109138-72-9- PubChem CID
- 376
- ChEBI
CHEBI:37032- Nikkaji
- J2.799.329J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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