Itaconic acid
Properties
- Molecular formula
- C5H6O4
- Molar mass
- 130.10 g/mol
- Exact mass
- 130.0266 Da
- Density
- 1.63 g/mL
- Melting point
- 162–164 °C (decomposes)
- Boiling point
- 108 °C
- logP
- 0.10Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
97-65-4SMILES
C=C(CC(=O)O)C(=O)OInChIKey
LVHBHZANLOWSRM-UHFFFAOYSA-NInChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Butanedioic acid, 2-methylene-
- Succinic acid, methylene-
- Butanedioic acid, methylene-
- 2-Methylenebutanedioic acid
- Methylenesuccinic acid
- 2-Propene-1,2-dicarboxylic acid
- Propylenedicarboxylic acid
- Methylenebutanedioic acid
- 2-Methylenesuccinic acid
- NSC 3357
- 4-Hydroxy-2-methylene-4-oxobutanoic acid
- 2-Methylidenebutanedioic acid
Work with Itaconic 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
Oxaloacetic acid328-42-754 % similar
2-(Bromomethyl)acrylic acid72707-66-552 % similar
trans-Aconitic acid4023-65-844 % similar
cis-Aconitic acid585-84-244 % similar
2-Benzylacrylic acid5669-19-242 % similar
3-Butene-1,2,3-tricarboxylic acid26326-05-640 % similar
β-Ketoadipic acid689-31-638 % similar
Succinic acid110-15-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds