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13165-78-1

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Basic Information
CAS No.: 13165-78-1
Name: o-methoxybenzenesulphinic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 13165-78-1 (o-methoxybenzenesulphinic acid)
Formula: C7H8O3S
Molecular Weight: 172.205
Synonyms: Benzenesulfinicacid, o-methoxy- (7CI,8CI);o-Methoxybenzenesulfinic acid;
EINECS: 236-107-6
Density: 1.42g/cm3
Boiling Point: 385.8 °C at 760 mmHg
Flash Point: 187.1 °C
PSA: 65.74000
LogP: 2.14150
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Specification

The Benzenesulfinic acid,2-methoxy-, with CAS registry number 13165-78-1, has the systematic name of 2-methoxybenzenesulfinic acid. Besides this, it is also called o-methoxybenzenesulphinic acid. And the chemical formula of this chemical is C7H8O3S. What's more, its EINECS is 236-107-6.

Physical properties of Benzenesulfinic acid,2-methoxy-: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.24; (4)ACD/LogD (pH 7.4): -3.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.74 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 43.52 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 17.25×10-24cm3; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 187.1 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 385.8 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(O)c1ccccc1OC
(2)InChI: InChI=1/C7H8O3S/c1-10-6-4-2-3-5-7(6)11(8)9/h2-5H,1H3,(H,8,9)
(3)InChIKey: FLEOBKHAPXSNGY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H8O3S/c1-10-6-4-2-3-5-7(6)11(8)9/h2-5H,1H3,(H,8,9)
(5)Std. InChIKey: FLEOBKHAPXSNGY-UHFFFAOYSA-N