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3-Oxetanol,3-(4-methylbenzenesulfonate) (26272-83-3)

Identification
Name:3-Oxetanol,3-(4-methylbenzenesulfonate)
Synonyms:2-Propanol,1,3-epoxy-, p-toluenesulfonate (8CI);3-Oxetanol, 4-methylbenzenesulfonate(9CI);3-Oxetanyl tosylate;3-Oxetyl p-toluenesulfonate;Oxetan-3-yl4-methylbenzenesulfonate;Toluene-4-sulfonic acid oxetan-3-yl ester;
CAS:26272-83-3
Molecular Formula: C10H12O4S
Molecular Weight: 228.26488
InChI: InChI=1/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
Molecular Structure: (C10H12O4S) 2-Propanol,1,3-epoxy-, p-toluenesulfonate (8CI);3-Oxetanol, 4-methylbenzenesulfonate(9CI);3-Oxetanyl...
Properties
Density:1.34 g/cm3
Refractive index:1.568
Specification:

The Toluene-4-sulfonic acid oxetan-3-yl ester with its cas register number is 26272-83-3. It also can be called as 3-Oxetanol,3-(4-methylbenzenesulfonate) and the IUPAC Name about this chemical is oxetan-3-yl 4-methylbenzenesulfonate.

Physical properties about  are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.95; (5)ACD/BCF (pH 7.4): 1.95; (6)ACD/KOC (pH 5.5): 56.09; (7)ACD/KOC (pH 7.4): 56.09; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 60.98Å2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 55.5 cm3; (13)Molar Volume: 169.6 cm3; (14)Polarizability: 22x10-24cm3; (15)Surface Tension: 49.9 dyne/cm; (16)Enthalpy of Vaporization: 59.43 kJ/mol; (17)Vapour Pressure: 2.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC1COC1)c2ccc(C)cc2
(2)InChI: InChI=1/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
(3)InChIKey: UMFWNFVHKAJOSE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
(5)Std. InChIKey: UMFWNFVHKAJOSE-UHFFFAOYSA-N

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