4316-23-8 Purity
0.95
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Specification
The molecular formula of mesaconic acid is C5H6O4.
The molecular weight of mesaconic acid is 130.10 g/mol.
The synonyms of mesaconic acid include mesaconic acid, 2-Methylfumaric acid, Methylfumaric acid, and mesaconate.
The IUPAC name of mesaconic acid is (E)-2-methylbut-2-enedioic acid.
The InChI of mesaconic acid is InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+.
The InChIKey of mesaconic acid is HNEGQIOMVPPMNR-NSCUHMNNSA-N.
The canonical SMILES of mesaconic acid is CC(=CC(=O)O)C(=O)O.
The CAS number of mesaconic acid is 498-24-8.
Mesaconic acid is a natural product found in Saxifraga stolonifera, Arabidopsis thaliana, and other organisms.
The topological polar surface area of mesaconic acid is 74.6Ų.
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