Name: (R)-Trimethyllactic acid
SKU: 22146-57-2

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Basic Information

Molecular Structure:
CAS No.:	22146-57-2
Name:	(R)-Trimethyllactic acid
Article Data:	4

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	Butanoicacid, 2-hydroxy-3,3-dimethyl-, (R)-;Butyric acid, 2-hydroxy-3,3-dimethyl-,D-(-)- (8CI);(R)-2-Hydroxy-3,3-dimethylbutanoic acid;(R)-Trimethyllactic acid;
Density:	1.1 g/cm³
Boiling Point:	242.4 °C at 760 mmHg
Flash Point:	114.6 °C
PSA:	57.53000
LogP:	0.47800

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Specification

This chemical is called Butanoic acid, 2-hydroxy-3,3-dimethyl-, (2R)-, and its systematic name is (2R)-2-hydroxy-3,3-dimethylbutanoic acid. With the molecular formula of C₆H₁₂O₃, its molecular weight is 132.16. The CAS registry number of this chemical is 22146-57-2.

Other characteristics of the Butanoic acid, 2-hydroxy-3,3-dimethyl-, (2R)- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 32.86 cm³; (13)Molar Volume: 120.1 cm³; (14)Polarizability: 13.03×10^-24cm³; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.1 g/cm³; (17)Flash Point: 114.6 °C; (18)Enthalpy of Vaporization: 55.7 kJ/mol; (19)Boiling Point: 242.4 °C at 760 mmHg Vapour Pressure: 0.00583 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H](O)C(C)(C)C
2.InChI: InChI=1/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m0/s1
3.InChIKey: FWVNWTNCNWRCOU-BYPYZUCNBR