Mesaconic acid
Properties
- Molecular formula
- C5H6O4
- Molar mass
- 130.10 g/mol
- Exact mass
- 130.0266 Da
- Melting point
- 204.5 °C
- logP
- 0.10Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
498-24-8SMILES
C/C(=CC(=O)O)C(=O)OInChIKey
HNEGQIOMVPPMNR-NSCUHMNNSA-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
10 names
- 2-Butenedioic acid, 2-methyl-, (2E)-
- 2-Butenedioic acid, 2-methyl-, (E)-
- (2E)-2-Methyl-2-butenedioic acid
- trans-2-Methyl-2-butenedioic acid
- Methylfumaric acid
- trans-1-Propene-1,2-dicarboxylic acid
- 2-Methylfumaric acid
- Citronic acid
- (E)-Citraconic acid
- NSC 65438
Reactions
Work with Mesaconic acid
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