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3,5-Pyridinedisulfonicacid

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Name

3,5-Pyridinedisulfonicacid

EINECS
CAS No. 13069-04-0 Density 1.865g/cm3
Solubility Melting Point
Formula C5H5NO6S2 Boiling Point
Molecular Weight 239.23 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 13069-04-0 (3,5-Pyridinedisulfonicacid) Hazard Symbols
Synonyms

PYRIDINE-3,5-DISULFONIC ACID

 

3,5-Pyridinedisulfonicacid Specification

The 3,5-Pyridinedisulfonicacid, with CAS registry number 13069-04-0, belongs to the following product category: Pyridines. It has the systematic name of pyridine-3,5-disulfonic acid. Its molecular weight is 239.23. And the chemical formula of this chemical is C5H5NO6S2.

Physical properties of 3,5-Pyridinedisulfonicacid: (1)ACD/LogP: -1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.25; (4)ACD/LogD (pH 7.4): -6.25; (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: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 116.39 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 45.25 cm3; (15)Molar Volume: 128.2 cm3; (16)Polarizability: 17.93×10-24cm3; (17)Surface Tension: 86.2 dyne/cm; (18)Density: 1.865 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(cnc1)S(=O)(=O)O
(2)InChI: InChI=1/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)
(3)InChIKey: QRYROSZXZPINDI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)
(5)Std. InChIKey: QRYROSZXZPINDI-UHFFFAOYSA-N

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