Basic information
- CAS
3142-65-2- Standard SMILES
CCC(O)(C(C)=O)C(=O)O- InChIKey
VUQLHQFKACOHNZ-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 2-Ethyl-2-hydroxy-3-oxobutanoic acid
- IUPAC
- 2-ethyl-2-hydroxy-3-oxobutanoic acid
- English name
- Butanoic acid, 2-ethyl-2-hydroxy-3-oxo- (9CI)
- Molecular formula
- C6H10O4
- Molecular weight
- 146.14
Names & synonyms
AAAHB2-Aceto-2-hydroxybutyrate2-ethyl-2-hydroxy-3-oxobutanoic acid3142-65-2alpha-aceto-alpha-hydroxybutyrateButanoic acid, 2-ethyl-2-hydroxy-3-oxo-RefChem:909796Acetohydroxybutyrate2-Aceto-2-hydroxybutanoate2-ethyl-2-hydroxy-3-oxo-butanoic acidAcetohydroxybutyric acidSCHEMBL42929
Show more names
α-Acetohydroxybutyric Acid DISCONTINUEDButanoic acid, 2-ethyl-2-hydroxy-3-oxo- (9CI)
alpha-Acetohydroxybutyric acidCHEBI:9822-Aceto-2-hydroxybutyric acid2-ethyl-2-hydroxy-3-oxobutanoicacidLMFA01050501AKOS0063805392-hydroxy-2-ethyl-3-keto-butanoic acidButanoic acid, 2-ethyl-2-hydroxy-3-oxo
Database identifiers
- CAS
3142-65-2- PubChem CID
- 21
- DTXSID
DTXSID901344214- ChEBI
CHEBI:982- Nikkaji
- J641.585G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 290.5 · 290.5±25.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.36(Predicted)
Chemistry & industry
Suppliers1 total
河南凯美优科技有限公司0372-15803728682 15803728682 · [email protected]
Additional notes
DefinitionChEBI: 2-Aceto-2-hydroxybutanoate is a hydroxy fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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