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The Methanesulfonic acid,1-[(2-methoxyphenyl)amino]-, with the CAS registry number 93-13-0 and EINECS registry number 202-220-4, has the IUPAC name of (2-methoxyanilino)methanesulfonic acid. And the molecular formula of the chemical is C8H11NO4S.
The characteristics of Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- are as followings: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.96; (4)ACD/LogD (pH 7.4): -4.1; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.75 cm3; (15)Molar Volume: 151.4 cm3; (16)olarizability: 20.51×10-24cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.434 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)CNc1ccccc1OC
(2)InChI: InChI=1/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)
(3)InChIKey: WJORFFDFYBZRJH-UHFFFAOYAO