Basic information
- CAS
470-30-4- Standard SMILES
CC(C)(CO)C(=O)C(=O)O- InChIKey
PKVVTUWHANFMQC-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 4-Hydroxy-3,3-dimethyl-2-oxobutanoic acid
- IUPAC
- 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid
Names & synonyms
4-hydroxy-3,3-dimethyl-2-oxobutanoic acidketopantoic acid470-30-42-dehydropantoic acidCHEBI:17094DTXSID90274258RefChem:1070757DTXCID20225738Butanoic acid, 4-hydroxy-3,3-dimethyl-2-oxo-KPLSCHEMBL392087AKOS006377093
Show more names
DB03795PD0072343-Hydroxymethyl-3-methyl-2-oxobutanoic acidNS00068583C00966EN300-18492863,3-Dimethyl-4-oxidanyl-2-oxidanylidene-butanoic acidalpha-keto-beta,beta-dimethyl-gamma-hydroxybutyric acid
Database identifiers
- CAS
470-30-4- PubChem CID
- 38
- DTXSID
DTXSID90274258- ChEBI
CHEBI:17094- UNII
- GZM7NYS95Z
- Nikkaji
- J934.784D
Properties
Computed structural properties
- XLogP
- -0.1
- 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
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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