CAS No.86-66-8,Naphtalene-1,3,6-trisulfonic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86-66-8
Name:	Naphtalene-1,3,6-trisulfonic Acid
Article Data:	17

Formula:	C₁₀H₈O₉S₃
Molecular Weight:	368.366
Synonyms:	naphthalene-1,3,6-trisulphonic acid;2,5,7-Naphthalenetrisulfonic acid
EINECS:	201-690-8
Density:	1.919g/cm³
PSA:	188.25000
LogP:	3.82230

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Specification

The 1,3,6-Naphthalenetrisulfonicacid, with CAS registry number 86-66-8, has the systematic name of naphthalene-1,3,6-trisulfonic acid. Besides this, it is also called 2,5,7-Naphthalenetrisulfonic acid. And the chemical formula of this chemical is C₁₀H₈O₉S₃. What's more, its EINECS is 201-690-8.

Physical properties of 1,3,6-Naphthalenetrisulfonicacid: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.28; (4)ACD/LogD (pH 7.4): -6.28; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 155.25 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 75.35 cm³; (15)Molar Volume: 191.8 cm³; (16)Polarizability: 29.87×10^-24cm³; (17)Surface Tension: 92.4 dyne/cm; (18)Density: 1.919 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc2c(cc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
(3)InChIKey: ZPBSAMLXSQCSOX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
(5)Std. InChIKey: ZPBSAMLXSQCSOX-UHFFFAOYSA-N