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1015-45-8

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Basic Information
CAS No.: 1015-45-8
Name: Cyclopropylmethyl 4-methylbenzenesulfonate
Molecular Structure:
Molecular Structure of 1015-45-8 (Cyclopropylmethyl 4-methylbenzenesulfonate)
Formula: C11H14O3S
Molecular Weight: 226.296
Density: 1.235 g/cm3
Boiling Point: 350.9 °C at 760 mmHg
Flash Point: 166 °C
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Specification

The Cyclopropylmethyl 4-methylbenzenesulfonate is an organic compound with the formula C11H14O3S. Its CAS registry number is 1015-45-8.

Physical properties of Cyclopropylmethyl 4-methylbenzenesulfonate: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.5; (5)ACD/BCF (pH 7.4): 27.5; (6)ACD/KOC (pH 5.5): 373.18; (7)ACD/KOC (pH 7.4): 373.18; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 58.39 cm3; (12)Molar Volume: 183.1 cm3; (13)Surface Tension: 43.6 dyne/cm; (14)Density: 1.235 g/cm3; (15)Flash Point: 166 °C; (16)Enthalpy of Vaporization: 57.2 kJ/mol; (17)Boiling Point: 350.9 °C at 760 mmHg; (18)Vapour Pressure: 8.62E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCC1CC1)c2ccc(C)cc2
(2)InChI: InChI=1/C11H14O3S/c1-9-2-6-11(7-3-9)15(12,13)14-8-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3
(3)InChIKey: WRPMREPGSFVNAQ-UHFFFAOYAU