Citraconic acid
Properties
- Molecular formula
- C5H6O4
- Molar mass
- 130.10 g/mol
- Exact mass
- 130.0266 Da
- Melting point
- 93.5 °C
- Boiling point
- 170–175 °C
- logP
- 0.10Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Double bonds
- ZE/Z, in SMILES order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
498-23-7SMILES
C/C(=C/C(=O)O)C(=O)OInChIKey
HNEGQIOMVPPMNR-IHWYPQMZSA-NInChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Butenedioic acid, 2-methyl-, (2Z)-
- 2-Butenedioic acid, 2-methyl-, (Z)-
- (2Z)-2-Methyl-2-butenedioic acid
- Methylmaleic acid
- (Z)-2-Methyl-2-butenedioic acid
- 2-Methylmaleic acid
Work with Citraconic 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
cis-α,β-Dimethylacrylic acid565-63-954 % similar
Tiglic acid80-59-154 % similar
3-Methyl-2-butenoic acid541-47-952 % similar
(E)-2-Methyl-2-pentenoic acid16957-70-348 % similar
2-Methylpent-2-en-1-oic acid3142-72-148 % similar
trans-Aconitic acid4023-65-844 % similar
Aconitic acid499-12-744 % similar
cis-Aconitic acid585-84-244 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds