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18023-22-8

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Basic Information
CAS No.: 18023-22-8
Name: 3,5-Dimethylbenzenesulfonic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 18023-22-8 (3,5-Dimethylbenzenesulfonic acid)
Formula: C8H10O3S
Molecular Weight: 186.232
Synonyms: 3,5-Dimethylbenzenesulfonic acid;
Density: 1.286 g/cm3
PSA: 62.75000
LogP: 2.63090
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Specification

The CAS registry number of Benzenesulfonic acid, 3,5-dimethyl- is 18023-22-8. Its molecular formula is C8H10O3S and molecular weight is 186.2282. Its systematic name is called 3,5-Dimethylbenzenesulfonic acid.

Physical properties about Benzenesulfonic acid, 3,5-dimethyl- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.11; (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: 1; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 46.34 cm3; (14)Molar Volume: 144.7 cm3; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.286 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(cc(c1)C)C
(2)InChI: InChI=1/C8H10O3S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
(3)InChIKey: QFVYAQIVJUCNSJ-UHFFFAOYAD