D-Sulfophenylacetic acid (39925-38-7)

The D-Sulfophenylacetic acid with the cas number 39925-38-7 is also called benzeneacetic acid, alpha-sulfo-. The systematic name is Phenyl(sulfo)acetic acid. Its molecular formula is C₈H₈O₅S. The product's category is Pharmaceutical Intermediates.

The properties of the chemical are: (1)ACD/LogP: -0.26; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.05 Å²; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 47.99 cm³; (13)Molar Volume: 136.1 cm³; (14)Polarizability: 19.02×10^-24cm³; (15)Surface Tension: 77.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C(C(=O)O)c1ccccc1
(2)InChI: InChI=1/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
(3)InChIKey: USNMCXDGQQVYSW-UHFFFAOYAT