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CAS No.: | 1756-18-9 |
---|---|
Name: | alpha,beta-dihydroxyisovaleric acid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H10O4 |
Molecular Weight: | 134.132 |
Synonyms: | 2,3-Dihydroxyisovaleric acid;2,3-Dihydroxy-3-methylbutanoic acid; |
Density: | 1.326 g/cm3 |
Boiling Point: | 332.2 °C at 760 mmHg |
Flash Point: | 168.9 °C |
PSA: | 77.76000 |
LogP: | -0.79720 |
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The Butanoic acid,2,3-dihydroxy-3-methyl-, with the CAS registry number of 1756-18-9, is also known as 2,3-Dihydroxyisovaleric acid. The molecular formula of this chemical is C5H10O4 and its molecular weight is 134.13. What's more, its IUPAC name is 2,3-Dihydroxy-3-methylbutanoic acid.
Physical properties about Butanoic acid,2,3-dihydroxy-3-methyl- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 77.76 Å2; (6)Index of Refraction: 1.5; (7)Molar Refractivity: 29.77 cm3; (8)Molar Volume: 101.1 cm3; (9)Polarizability: 11.8×10-24 cm3; (10)Surface Tension: 57.7 dyne/cm; (11)Density: 1.326 g/cm3; (12)Flash Point: 168.9 °C; (13)Enthalpy of Vaporization: 66.62 kJ/mol; (14)Boiling Point: 332.2 °C at 760 mmHg; (15)Vapour Pressure: 1.07E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C(C(=O)O)O)O
(2) InChI: InChI=1/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)
(3) InChIKey: JTEYKUFKXGDTEU-UHFFFAOYAT