chempirical

Dimethylmalonic acid

C5H8O4CAS 595-46-0132.11 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C5H8O4
Molar mass
132.11 g/mol
Exact mass
132.0423 Da
Melting point
192 °C (decomposes)
Boiling point
172–178 °C (at 0.2 Torr)
logP
0.18Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
595-46-0
SMILES
CC(C)(C(=O)O)C(=O)O
InChIKey
OREAFAJWWJHCOT-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

7 names
  • Propanedioic acid, 2,2-dimethyl-
  • Malonic acid, dimethyl-
  • Propanedioic acid, dimethyl-
  • 2,2-Dimethylpropanedioic acid
  • 2,2-Propanedicarboxylic acid
  • Dimethylpropanedioic acid
  • NSC 836

Work with Dimethylmalonic 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

Bromoisobutyric acid2052-01-957 % similar 2-Hydroxyisobutyric acid594-61-652 % similar 1,3,5,7-Adamantanetetracarboxylic acid100884-80-850 % similar 2,2-Difluoropropanoic acid373-96-650 % similar 1-Methylcyclopropanecarboxylic acid6914-76-750 % similar 2,2-Dichloropropionic acid75-99-050 % similar α-(Methylamino)isobutyric acid2566-34-946 % similar Dimethylolpropionic acid4767-03-746 % similar

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

Same formula

Monoethyl malonate1071-46-1 Dimethyl malonate108-59-8 Glutaric acid110-94-1 2-Deoxy-D-ribono-1,4-lactone34371-14-7 (+)-Methylsuccinic acid3641-51-8 Monomethyl succinate3878-55-5 2-Methylsuccinic acid498-21-5 Ethylmalonic acid601-75-2

Elsewhere

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