3-Pyridinecarboxylicacid, 6-sulfo- supplier

Name
6-SULFONICOTINIC ACID
EINECS
CAS No. 17624-03-2
Density 1.722 g/cm³
Solubility
Melting Point 310℃
Formula C₆H₅NO₅S
Boiling Point
Molecular Weight 203.175
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, 6-sulfo- (8CI);6-sulfopyridine-3-carboxylic acid;6-SULFONICOTINIC ACID;6-sulfopyridine-3-carboxylic acid;
PSA 112.94000
LogP 1.10730

3-Pyridinecarboxylicacid, 6-sulfo- Specification

The 3-Pyridinecarboxylicacid, 6-sulfo-, with the CAS registry number 17624-03-2, has the systematic name of 6-sulfopyridine-3-carboxylic acid. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C₆H₅NO₅S.

The characteristics of 3-Pyridinecarboxylicacid, 6-sulfo- are as followings: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.63; (4)ACD/LogD (pH 7.4): -5.65; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 90.94 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.17 cm³; (15)Molar Volume: 117.9 cm³; (16)Polarizability: 16.32×10^-24cm³; (17)Surface Tension: 83.2 dyne/cm; (18)Density: 1.722 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1ncc(C(=O)O)cc1
(2)InChI: InChI=1/C6H5NO5S/c8-6(9)4-1-2-5(7-3-4)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12)
(3)InChIKey: FBGALTBEUGHZPX-UHFFFAOYAA

Product Name

6-SULFONICOTINIC ACID

3-Pyridinecarboxylicacid, 6-sulfo- Specification

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