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4808-71-3

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Basic Information
CAS No.: 4808-71-3
Name: 4-Methylpyridine-3-sulfonic acid
Molecular Structure:
Molecular Structure of 4808-71-3 (4-Methylpyridine-3-sulfonic acid)
Formula: C6H7NO3S
Molecular Weight: 173.192
Synonyms: 4-METHYLPYRIDINE-3-SULFONIC ACID;4-Methyl-3-pyridinesulfonic acid
EINECS: 1312995-182-4
Density: 1.422g/cm3
Melting Point: 300oC
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 75.64000
LogP: 1.71750
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Chemistry

IUPAC Name: 4-methylpyridine-3-sulfonic acid
Molecular Formula: C6H7NO3S
Molecular Weight: 173.19 g/mol
Canonical SMILES: O=S(=O)(O)c1c(ccnc1)C
InChI: InChI=1/C6H7NO3S/c1-5-2-3-7-4-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
Mol File: 4808-71-3.mol
Product Categories: Pyridines
XLogP3-AA: 0
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 173.014664
MonoIsotopic Mass: 173.014664
Topological Polar Surface Area: 67.3
Heavy Atom Count: 11
Complexity: 219
Index of Refraction: 1.562
Molar Refractivity: 39.52 cm3
Molar Volume: 121.7 cm3
Polarizability: 15.66×10-24cm3
Surface Tension: 56.7 dyne/cm
Density of 4-Methylpyridine-3-sulfonic acid (CAS NO.4808-71-3): 1.422 g/cm3

Specification

 4-Methylpyridine-3-sulfonic acid (CAS NO.4808-71-3), its Synonyms are 4-Methyl-3-pyridinesulfonic acid ; 3-pyridinesulfonic acid, 4-methyl- .