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116496-16-3

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Basic Information
CAS No.: 116496-16-3
Name: 4-ISOPROPYL-2-METHYLBENZENE-1-SULFONIC ACID
Molecular Structure:
Molecular Structure of 116496-16-3 (4-ISOPROPYL-2-METHYLBENZENE-1-SULFONIC ACID)
Formula: C10H14O3S
Molecular Weight: 214.285
Synonyms: 4-ISOPROPYL-2-METHYLBENZENE-1-SULFONIC ACID;M-CYMENE-2-SULFONIC ACID
Density: 1.2 g/cm3
PSA: 62.75000
LogP: 3.44590
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Specification

The 4-Isopropyl-2-methylbenzene-1-sulfonic acid ,its cas register number is 116496-16-3.It also can be called as m-Cymene-2-sulfonic acid and the Systematic name about this chemical is m-Cymene-2-sulfonic acid.

Following are the chemical properties about 4-Isopropyl-2-methylbenzene-1-sulfonic acid :(1)#H bond acceptors: 3 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 62.75Å2 ; (5)Index of Refraction: 1.534 ; (6)Molar Refractivity: 55.58 cm3 ; (7)Molar Volume: 178.5 cm3 ; (8)Polarizability: 22.03x10-24cm3 ; (9)Surface Tension: 42.1 dyne/cm

This chemical can be described computed from structure:
(1)SMILES: O=S(O)(=O)c1ccc(cc1C)C(C)C
(2)InChI: InChI=1/C10H14O3S/c1-7(2)9-4-5-10(8(3)6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
(3)InChIKey: UMNWEWIVQMUGBX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H14O3S/c1-7(2)9-4-5-10(8(3)6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
(5)Std. InChIKey: UMNWEWIVQMUGBX-UHFFFAOYSA-N