3,3-Dimethyl-2-oxobutanoic acid
Properties
- Molecular formula
- C6H10O3
- Molar mass
- 130.14 g/mol
- Exact mass
- 130.0630 Da
- Melting point
- 90.5 °C
- Boiling point
- 189 °C
- logP
- 0.69Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage94% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
815-17-8SMILES
CC(C)(C)C(=O)C(=O)OInChIKey
IAWVHZJZHDSEOC-UHFFFAOYSA-NInChI
InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Butanoic acid, 3,3-dimethyl-2-oxo-
- Butyric acid, 3,3-dimethyl-2-oxo-
- Butyric acid, β,β-dimethyl-α-oxo-
- tert-Butylglyoxylic acid
- Trimethylpyruvic acid
- 3,3-Dimethyl-2-oxobutyric acid
- 2-Oxo-3,3-dimethylbutanoic acid
- Trimethylpyroracemic acid
- NSC 16648
Work with 3,3-Dimethyl-2-oxobutanoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Pivalic acid75-98-943 % similar
Oxalic acid144-62-742 % similar
Pyruvic acid127-17-338 % similar
Ammonium oxalate1113-38-836 % similar
Ethanedioic acid hydrate (1:2)6153-56-636 % similar
Di-tert-butyl ketone815-24-736 % similar
Methacrylic acid79-41-435 % similar
2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.