CAS No.5855-84-5,P-CARBOXY PHENYL GAMMA ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5855-84-5
Name:	P-CARBOXY PHENYL GAMMA ACID

Formula:	C₁₇H₁₃NO₆S
Molecular Weight:	359.35
Synonyms:	Benzoicacid, p-[(8-hydroxy-6-sulfo-2-naphthyl)amino]- (8CI);4-Carboxyphenyl-gamma-acid;6-(4-Carboxyanilino)-4-hydroxy-2-naphthalenesulfonicacid;N-(p-Carboxyphenyl)-g-acid;
Density:	1.609 g/cm³
PSA:	135.30000
LogP:	4.25550

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Specification

This chemical is called 6-(4-Carboxyanilino)-4-hydroxy-2-naphthalenesulfonic acid, and it can also be named as 4-[(8-Hydroxy-6-sulfo-2-naphthalenyl)amino]benzoic acid. With the molecular formula of C₁₇H₁₃NO₆S, its molecular weight is 359.35. The CAS registry number of this chemical is 5855-84-5.

Other characteristics of the 6-(4-Carboxyanilino)-4-hydroxy-2-naphthalenesulfonic acid can be summarised as followings: (1)ACD/LogP: 0.79; (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: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 132.31 Å²; (11)Index of Refraction: 1.748; (12)Molar Refractivity: 90.822 cm³; (13)Molar Volume: 223.326 cm³; (14)Polarizability: 36.005×10^-24cm³; (15)Surface Tension: 86.549 dyne/cm; (16)Density: 1.609 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1ccc(cc1)Nc2cc3c(cc2)cc(cc3O)S(O)(=O)=O
2.InChI: InChI=1/C17H13NO6S/c19-16-9-14(25(22,23)24)7-11-3-6-13(8-15(11)16)18-12-4-1-10(2-5-12)17(20)21/h1-9,18-19H,(H,20,21)(H,22,23,24) 3.InChIKey: DRPVWDDGKRHPKB-UHFFFAOYAX