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15521-77-4 | 3-Pyridinesulfonic acid, sodium salt (1:1)
CAS No: 15521-77-4 Catalog No: AG001NQK MDL No:MFCD00065041
Product Description
Catalog Number:
AG001NQK
Chemical Name:
3-Pyridinesulfonic acid, sodium salt (1:1)
CAS Number:
15521-77-4
Molecular Formula:
C5H4NNaO3S
Molecular Weight:
181.1449
MDL Number:
MFCD00065041
IUPAC Name:
sodium;pyridine-3-sulfonate
InChI:
InChI=1S/C5H5NO3S.Na/c7-10(8,9)5-2-1-3-6-4-5;/h1-4H,(H,7,8,9);/q;+1/p-1
InChI Key:
CQSNULMCHIOCCX-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)c1cccnc1.[Na+]
EC Number:
239-561-3
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.141g/mol
Monoisotopic Mass:
180.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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