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Benzenesulfonic acid,2-methyl-4-(1-methylethyl)- (116496-16-3)

Identification
Name:Benzenesulfonic acid,2-methyl-4-(1-methylethyl)-
Synonyms:m-Cymene-2-sulfonic acid
CAS:116496-16-3
Molecular Formula: C10H14 O3 S
Molecular Weight: 214.29
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)
Molecular Structure: (C10H14O3S) m-Cymene-2-sulfonic acid
Properties
Density:1.2g/cm3
Refractive index:1.534
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

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