Methyl glyoxylate

C3H4O3CAS 922-68-988.06 g/mol

Open in Covalent MOL file
OOO
AldehydeEster

Properties

Molecular formula
C3H4O3
Molar mass
88.06 g/mol
Exact mass
88.0160 Da
Melting point
49–51 °C
Boiling point
45–50 °C (at 29 Torr)
logP
-0.64Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
922-68-9
SMILES
COC(=O)C=O
InChIKey
KFKXSMSQHIOMSO-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Acetic acid, 2-oxo-, methyl ester
  • Glyoxylic acid, methyl ester
  • Acetic acid, oxo-, methyl ester
  • Oxoacetic acid methyl ester
  • Methyl oxoacetate
  • Methyl 2-oxoacetate

Work with Methyl glyoxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl maleate624-48-660 % similar Dimethyl fumarate624-49-760 % similar Dimethyl penta-2,3-dienedioate1712-36-352 % similar Methyl crotonate623-43-852 % similar Methyl acrylate96-33-352 % similar Methyl 3-methyl-2-butenoate924-50-550 % similar Methyl 3-methoxyacrylate34846-90-748 % similar Methyl trans-β-methoxyacrylate5788-17-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyruvic acid127-17-3 Acetic-formic anhydride2258-42-6 Ethylene carbonate96-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook