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139263-48-2

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Basic Information
CAS No.: 139263-48-2
Name: 5-HYDROXYPYRIDINE-2-SULFONIC ACID
Molecular Structure:
Molecular Structure of 139263-48-2 (5-HYDROXYPYRIDINE-2-SULFONIC ACID)
Formula: C5H5NO4S
Molecular Weight: 175.16
Synonyms: 5-Hydroxy-2-pyridinesulfonicacid;
Density: 1.686 g/cm3
PSA: 95.87000
LogP: 1.11470
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Specification

This chemical is called 2-Pyridinesulfonicacid, 5-hydroxy-, and its systematic name is 5-hydroxypyridine-2-sulfonic acid. With the molecular formula of C5H5NO4S, its molecular weight is 175.16. The CAS registry number of this chemical is 139263-48-2. Additionally, its product categoriy is Pyridines.

Other characteristics of the 2-Pyridinesulfonicacid, 5-hydroxy- can be summarised as followings: (1)ACD/LogP: -2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.03; (4)ACD/LogD (pH 7.4): -6.51; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 73.87 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 36.42 cm3; (15)Molar Volume: 103.8 cm3; (16)Polarizability: 14.44×10-24cm3; (17)Surface Tension: 80.4 dyne/cm; (18)Density: 1.686 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c1ncc(O)cc1
2.InChI: InChI=1/C5H5NO4S/c7-4-1-2-5(6-3-4)11(8,9)10/h1-3,7H,(H,8,9,10)
3.InChIKey: SYFBIBPUIWDDJU-UHFFFAOYAA