60480-83-3 Purity
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Specification
The molecular formula of 2-Methylcitric acid is C7H10O7.
The molecular weight of 2-Methylcitric acid is 206.15 g/mol.
The IUPAC name of 2-Methylcitric acid is 2-hydroxybutane-1,2,3-tricarboxylic acid.
The InChI of 2-Methylcitric acid is InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13).
The InChIKey of 2-Methylcitric acid is YNOXCRMFGMSKIJ-UHFFFAOYSA-N.
The canonical SMILES of 2-Methylcitric acid is CC(C(=O)O)C(CC(=O)O)(C(=O)O)O.
The CAS number of 2-Methylcitric acid is 6061-96-7.
The hydrogen bond donor count of 2-Methylcitric acid is 4.
The hydrogen bond acceptor count of 2-Methylcitric acid is 7.
The topological polar surface area of 2-Methylcitric acid is 132Å2.