CAS
514-78-3 Purity
98%
514-78-3 Purity
98%
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The molecular formula is C6H12O3.
The molecular weight is 132.16 g/mol.
The synonyms are L-ISOLEUCIC ACID, 51576-04-6, 9R3ZO89OD8, and 2S-hydroxy-3S-methylpentanoic acid.
The IUPAC name is (2S,3S)-2-hydroxy-3-methylpentanoic acid.
The InChI is InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1.
The InChIKey is RILPIWOPNGRASR-WHFBIAKZSA-N.
The canonical SMILES is CCC(C)C(C(=O)O)O.
The CAS number is 51576-04-6.
The XLogP3-AA value is 0.9.
The topological polar surface area is 57.5Ų.