Specification
Synonyms
A-ketoisocaproic acid sodium
IUPAC Name
Sodium;4-methyl-2-oxopentanoate
Canonical SMILES
CC(C)CC(=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
InChI Key
IXFAZKRLPPMQEO-UHFFFAOYSA-M
Melting Point
275 °C(lit.)
Solubility
Soluble in water
Appearance
White to off-white solid
Monoisotopic Mass
152.04493843
Safety Description
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
Topological Polar Surface Area
57.2 Ų