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Basic Information
CAS No.: 96-71-9
Name: p-Cymene-2-sulfonic acid
Molecular Structure:
Molecular Structure of 96-71-9 (p-Cymene-2-sulfonic acid)
Formula: C10H14O3S
Molecular Weight: 214.285
Synonyms: p-Cymene-2-sulfonic acid;5-ISOPROPYL-2-METHYLBENZENESULFONIC ACID;2-Methyl-5-isopropylbenzenesulfonic acid
Density: 1.2 g/cm3
PSA: 62.75000
LogP: 3.44590
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Specification

The 2-Methyl-5-isopropylbenzenesulfonic acid is an organic compound with the formula C10H14O3S. The systematic name of this chemical is 2-methyl-5-(propan-2-yl)benzenesulfonic acid. With the CAS registry number 96-71-9, it is also named as p-Cymene-2-sulfonic acid. In addition, the molecular weight is 214.28.

The other characteristics of 2-Methyl-5-isopropylbenzenesulfonic acid can be summarized as: (1)ACD/LogP: 2.27; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.75 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 55.58 cm3; (13)Molar Volume: 178.5 cm3; (14)Polarizability: 22.03×10-24 cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.2 g/cm3.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=S(O)(=O)c1cc(ccc1C)C(C)C
2. InChI:InChI=1/C10H14O3S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13) 
3. InChIKey:OORBHYFTTSLSRU-UHFFFAOYAP