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2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid

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Name

2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid

EINECS N/A
CAS No. 143982-77-8 Density 1.683 g/cm3
PSA 201.49000 LogP 3.00100
Solubility N/A Melting Point N/A
Formula C15H14O11S2 Boiling Point N/A
Molecular Weight 434.402 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 143982-77-8 (2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid) Hazard Symbols N/A
Synonyms

2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonicacid;

Article Data 1

2,2'-Dihydroxy-4,4'-dimethoxybenzophenone-5,5'-disulfonic acid 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

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