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CAS No.: | 54247-50-6 |
---|---|
Name: | 3-NITROPYRIDINE-2-SULFONIC ACID |
Molecular Structure: | |
Formula: | C5H4N2O5S |
Molecular Weight: | 204.163 |
Synonyms: | 3-Nitro-2-pyridinesulfonic acid; |
Density: | 1.74 g/cm3 |
PSA: | 121.46000 |
LogP: | 1.84050 |
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The 2-Pyridinesulfonicacid, 3-nitro-, with the CAS registry number 54247-50-6, belongs to the product category of Pyridines. This chemical's molecular formula is C5H4N2O5S and molecular weight is 204.16. Its systematic name is called 3-nitropyridine-2-sulfonic acid.
Physical properties of 2-Pyridinesulfonicacid, 3-nitro-: (1)ACD/LogP: -0.90; (2)ACD/LogD (pH 5.5): -4.4; (3)ACD/LogD (pH 7.4): -4.4; (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: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 40.93 cm3; (13)Molar Volume: 117.2 cm3; (14)Surface Tension: 81.9 dyne/cm; (15)Density: 1.74 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ncccc1[N+]([O-])=O
(2)InChI: InChI=1/C5H4N2O5S/c8-7(9)4-2-1-3-6-5(4)13(10,11)12/h1-3H,(H,10,11,12)
(3)InChIKey: WZBDCLMTYAGWKV-UHFFFAOYAV