Benzenesulfonic acid,2(or 5)-hydroxy-5(or 2)-methyl- (28519-04-2)

The p-Cresolsulphonic acid with the cas number 28519-04-2 is also called Benzenesulfonic acid,2(or 5)-hydroxy-5(or 2)-methyl-. The systematic name is 2-hydroxy-5-methylbenzenesulfonic acid. Its EINECS registry number is 249-064-3. The molecular formula is C₇H₈O₄S.

The properties of the chemical are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 60.98 Å²; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 43.25 cm³; (13)Molar Volume: 126.9 cm³; (14)Polarizability: 17.14×10^-24cm³; (15)Surface Tension: 60.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(ccc1O)C
(2)InChI: InChI=1/C7H8O4S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
(3)InChIKey: AXZKCQSGDARVRL-UHFFFAOYAW