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Basic Information
CAS No.: 28892-73-1
Name: 3-Hydroxy-2-methylvaleric acid
Article Data: 14
Molecular Structure:
Molecular Structure of 28892-73-1 (3-Hydroxy-2-methylvaleric acid)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Valericacid, 3-hydroxy-2-methyl- (8CI);2-Methyl-3-hydroxypentanoic acid;2-Methyl-3-hydroxyvaleric acid;
Density: 1.097 g/cm3
Boiling Point: 250.5 °C at 760 mmHg
Flash Point: 119.5 °C
PSA: 57.53000
LogP: 0.47800
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Chemistry

IUPAC Name: 3-Hydroxy-2-methylpentanoic acid
Synonyms of 3-Hydroxy-2-methylvaleric acid (CAS NO.28892-73-1): Pentanoic acid, 3-hydroxy-2-methyl-
CAS NO: 28892-73-1
Molecular Formula: C6H12O3
Molecular Weight: 132.1577
Molecular Structure: 
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.457
Molar Refractivity: 32.86 cm3
Molar Volume: 120.4 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.097 g/cm3
Flash Point: 119.5 °C
Enthalpy of Vaporization: 56.66 kJ/mol
Boiling Point: 250.5 °C at 760 mmHg
Vapour Pressure: 0.00343 mmHg at 25°C
SMILES: O=C(O)C(C)C(O)CC
InChI: InChI=1/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
InChIKey: NVIHALDXJWGLFD-UHFFFAOYAD
Std. InChI: InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
Std. InChIKey: NVIHALDXJWGLFD-UHFFFAOYSA-N