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Basic Information
CAS No.: 69891-44-7
Name: (R)-(-)-2-(P-TOLUENESULFONATE)-1,2-PROPANOL
Molecular Structure:
Molecular Structure of 69891-44-7 ((R)-(-)-2-(P-TOLUENESULFONATE)-1,2-PROPANOL)
Formula: C10H14O4S
Molecular Weight: 230.285
Synonyms: Toluenesulfonate propaniol;
Density: 1.246 g/cm3
Boiling Point: 379.5 °C at 760 mmHg
Flash Point: 183.3 °C
PSA: 71.98000
LogP: 2.16190
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Specification

The (R)-(-)-2-(P-toluenesulfonate)-1, 2-propanol, with the CAS registry number of 69891-44-7, is also known as Toluenesulfonate propaniol. This chemical's molecular formula is C10H14O4S and molecular weight is 230.28. What's more, its systematic name is [(1R)-2-Hydroxy-1-methyl-ethyl] 4-methylbenzenesulfonate.

Physical properties about (R)-(-)-2-(P-toluenesulfonate)-1, 2-propanol are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 71.98 Å2; (9)Index of Refraction: 1.532; (10)Molar Refractivity: 57.33 cm3; (11)Molar Volume: 184.7 cm3; (12)Polarizability: 22.72×10-24 cm3; (13)Surface Tension: 44.4 dyne/cm; (14)Density: 1.246 g/cm3; (15)Flash Point: 183.3 °C; (16)Enthalpy of Vaporization: 66.2 kJ/mol; (17)Boiling Point: 379.5 °C at 760 mmHg; (18)Vapour Pressure: 1.95E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O[C@H](C)CO)c1ccc(C)cc1
(2) InChI: InChI=1/C10H14O4S/c1-8-3-5-10(6-4-8)15(12,13)14-9(2)7-11/h3-6,9,11H,7H2,1-2H3/t9-/m1/s1
(3) InChIKey: UADUJNAWMVEFHR-SECBINFHBN