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143982-77-8

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Basic Information
CAS No.: 143982-77-8
Name: 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 143982-77-8 (2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid)
Formula: C15H14O11S2
Molecular Weight: 434.402
Synonyms: 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonicacid;
Density: 1.683 g/cm3
PSA: 201.49000
LogP: 3.00100
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Specification

The 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid with the CAS number 143982-77-8 is also called Benzenesulfonic acid,3,3'-carbonylbis[4-hydroxy-6-methoxy-. The systematic name is 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonic acid). Its molecular formula is C15H14O11S2. The product category is Industrial/Fine Chemicals.

The properties of the chemical are: (1)ACD/LogP: -1.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.38; (4)ACD/LogD (pH 7.4): -7.76; (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: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 157.49 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 92.69 cm3; (15)Molar Volume: 257.9 cm3; (16)Polarizability: 36.74×10-24cm3; (17)Surface Tension: 75.3 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(c(O)cc1OC)C(=O)c2c(O)cc(OC)c(c2)S(=O)(=O)O
(2)InChI: InChI=1/C15H14O11S2/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24)
(3)InChIKey: UYZZHENGTKPYMN-UHFFFAOYAM