Benzoic acid,4-(ethenylsulfonyl)- (95535-40-3)

The 4-Vinylsulfonylbenzoic acid, with the CAS registry number 95535-40-3, is also known as Benzoic acid,4-(ethenylsulfonyl)-. This chemical's molecular formula is C₉H₈O₄S and molecular weight is 212.22. What's more, its systematic name is called 4-(Ethenylsulfonyl)benzoic acid.

Physical properties about 4-Vinylsulfonylbenzoic acid are: (1) ACD/LogP: 1.33; (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): 1.13; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 79.82 Å²; (11) Index of Refraction: 1.568; (12) Molar Refractivity: 50.87 cm³; (13) Molar Volume: 155.3 cm³; (14) Surface Tension: 49.9 dyne/cm; (15) Density: 1.366 g/cm³; (16) Flash Point: 218.9 °C; (17) Enthalpy of Vaporization: 73.26 kJ/mol; (18) Boiling Point: 438.3 °C at 760 mmHg; (19) Vapour Pressure: 1.86E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(C=C)c1ccc(cc1)C(O)=O
(2) InChI: InChI=1/C9H8O4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h2-6H,1H2,(H,10,11)
(3) InChIKey: XVNBCTUERGUCCX-UHFFFAOYAE