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CAS No.: | 18616-04-1 |
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Name: | 4-METHYLPYRIDINE-2-SULFONIC ACID |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H7NO3S |
Molecular Weight: | 173.192 |
Synonyms: | 4-Methylpyridine-2-sulfonicacid; |
Density: | 1.422 g/cm3 |
PSA: | 75.64000 |
LogP: | 1.71750 |
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The 2-Pyridinesulfonicacid, 4-methyl-, with the CAS registry number 18616-04-1, belongs to the product category of Pyridines. This chemical's molecular formula is C6H7NO3S and molecular weight is 173.19. Its systematic name is called 4-methylpyridine-2-sulfonic acid.
Physical properties of 2-Pyridinesulfonicacid, 4-methyl-: (1)ACD/LogP: -0.56; (2)ACD/LogD (pH 5.5): -4.06; (3)ACD/LogD (pH 7.4): -4.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 39.52 cm3; (13)Molar Volume: 121.7 cm3; (14)Surface Tension: 56.7 dyne/cm; (15)Density: 1.422 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1nccc(c1)C
(2)InChI: InChI=1/C6H7NO3S/c1-5-2-3-7-6(4-5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
(3)InChIKey: CPONZDBBPJRDSU-UHFFFAOYAX