Butylmalonic acid
Properties
- Molecular formula
- C7H12O4
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0736 Da
- Melting point
- 104.5 °C
- Boiling point
- 237.5 °C
- logP
- 0.96Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 5
Identifiers
CAS number
534-59-8SMILES
CCCCC(C(=O)O)C(=O)OInChIKey
MCRZWYDXIGCFKO-UHFFFAOYSA-NInChI
InChI=1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Propanedioic acid, 2-butyl-
- Malonic acid, butyl-
- Propanedioic acid, butyl-
- 2-Butylpropanedioic acid
- n-Butylmalonic acid
- 1,1-Pentanedicarboxylic acid
- 2-n-Butylmalonic acid
- 2-Butylmalonic acid
- α-Carboxycaproic acid
- NSC 791
Work with Butylmalonic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Hexadecylpropanedioic acid4371-64-684 % similar
2-Methylhexanoic acid4536-23-664 % similar
2-Ethylhexanoic acid149-57-562 % similar
D-Norleucine327-56-062 % similar
2-Bromohexanoic acid616-05-762 % similar
(±)-Norleucine616-06-862 % similar
Buciclic acid38289-28-060 % similar
2-Hexyldecanoic acid25354-97-659 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds