Dimethyl oxalate
Properties
- Molecular formula
- C4H6O4
- Molar mass
- 118.09 g/mol
- Exact mass
- 118.0266 Da
- Melting point
- 54.3 °C
- Boiling point
- 163.5 °C
- logP
- -0.67Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 0
Identifiers
CAS number
553-90-2SMILES
COC(=O)C(=O)OCInChIKey
LOMVENUNSWAXEN-UHFFFAOYSA-NInChI
InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Ethanedioic acid, 1,2-dimethyl ester
- Ethanedioic acid, dimethyl ester
- Oxalic acid, dimethyl ester
- Methyl oxalate
- NSC 9374
Reactions
Work with Dimethyl oxalate
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
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds