chempirical

Methylmalonic acid

C4H6O4CAS 516-05-2118.09 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C4H6O4
Molar mass
118.09 g/mol
Exact mass
118.0266 Da
Melting point
135 °C (decomposes)
Boiling point
120 °C (at 15 Torr)
logP
-0.21Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
516-05-2
SMILES
CC(C(=O)O)C(=O)O
InChIKey
ZIYVHBGGAOATLY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

9 names
  • Propanedioic acid, 2-methyl-
  • Malonic acid, methyl-
  • Propanedioic acid, methyl-
  • 2-Methylpropanedioic acid
  • 1,1-Ethanedicarboxylic acid
  • Isosuccinic acid
  • 2-Methylmalonic acid
  • Methylpropanedioic acid
  • NSC 25201

Work with Methylmalonic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isobutyric acid79-31-258 % similar D-Lactic acid10326-41-752 % similar Poly[(+)-lactic acid]106989-11-152 % similar Polylactic acid26100-51-652 % similar Lactic acid598-82-352 % similar 2-(1-Methylethyl)propanedioic acid601-79-652 % similar L-Lactic acid79-33-452 % similar 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Succinic acid110-15-6 Acetoxyacetic acid13831-30-6 Erythrono-1,4-lactone15667-21-7 Dimethyl oxalate553-90-2 Glycol diformate629-15-2 Glycerol-1,2-carbonate931-40-8

Elsewhere

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