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20532-14-3

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Basic Information
CAS No.: 20532-14-3
Name: 2-Methyl-5-sulphamoylbenzoic acid
Molecular Structure:
Molecular Structure of 20532-14-3 (2-Methyl-5-sulphamoylbenzoic acid)
Formula: C8H9NO4S
Molecular Weight: 215.23
Synonyms: o-Toluicacid, 5-sulfamoyl- (7CI,8CI);
Density: 1.462 g/cm3
Boiling Point: 462.8 °C at 760 mmHg
Flash Point: 233.7 °C
PSA: 105.84000
LogP: 2.12170
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Specification

The Benzoic acid,5-(aminosulfonyl)-2-methyl-, with the CAS registry number 20532-14-3, is also known as 5-(Aminosulphonyl)-2-methylbenzoic acid. This chemical's molecular formula is C8H9NO4S and molecular weight is 215.2264. What's more, its systematic name is called 2-Methyl-5-sulfamoylbenzoic acid.

Physical properties about Benzoic acid,5-(aminosulfonyl)-2-methyl- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.27; (4) ACD/LogD (pH 7.4): -2.24; (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: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 72.06 Å2; (13) Index of Refraction: 1.596; (14) Molar Refractivity: 50.09 cm3; (15) Molar Volume: 147.1 cm3; (16) Surface Tension: 61.2 dyne/cm; (17) Density: 1.462 g/cm3; (18) Flash Point: 233.7 °C; (19) Enthalpy of Vaporization: 76.27 kJ/mol; (20) Boiling Point: 462.8 °C at 760 mmHg; (21) Vapour Pressure: 2.31E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1C)S(=O)(=O)N
(2) InChI: InChI=1/C8H9NO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)
(3) InChIKey: FGQKQQQUJXXYEF-UHFFFAOYAE