Methyl pyruvate
Properties
- Molecular formula
- C4H6O3
- Molar mass
- 102.09 g/mol
- Exact mass
- 102.0317 Da
- Melting point
- −22 °C
- Boiling point
- 135.5 °C
- logP
- -0.25Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor92.3% of notifiers
- H335 May cause respiratory irritation13.5% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
600-22-6SMILES
COC(=O)C(C)=OInChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-NInChI
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Propanoic acid, 2-oxo-, methyl ester
- Pyruvic acid, methyl ester
- Methylglyoxylic acid methyl ester
- Methyl 2-oxopropionate
- Methyl 2-oxopropanoate
- Methyl acetoformate
- NSC 65430
- 2-Oxopropanoic acid methyl ester
- 2-Oxopropionic acid methyl ester
- Pyroracemic acid methyl ester
- Methyl pyroracemate
- Methyl methoxycarbonyl ketone
Reactions
Work with Methyl pyruvate
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
Dimethyl oxalate553-90-261 % similar
Methyl methacrylate80-62-650 % similar
Poly(methyl methacrylate)9011-14-750 % similar
Ethyl pyruvate617-35-648 % similar
Methyl tiglate6622-76-046 % similar
Methyl oxalyl chloride5781-53-346 % similar
Diacetyl431-03-844 % similar
Methyl acetopyruvate20577-61-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.