3-(1-Pyridino)-1-propane sulfonate

Catalog	DGS15471177
CAS	15471-17-7
Structure
Synonyms	NDSB-201
IUPAC Name	3-pyridin-1-ium-1-ylpropane-1-sulfonate
Molecular Weight	201.24
Molecular Formula	C8H11NO3S
InChI	InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key	REEBJQTUIJTGAL-UHFFFAOYSA-N
Melting Point	275-277 °C
Appearance	White powder
Complexity	213
EC Number	239-491-3
Exact Mass	201.04596439
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
Monoisotopic Mass	201.04596439
Rotatable Bond Count	3
Storage Conditions	Room temperature
Topological Polar Surface Area	69.5 Ų
XLogP3-AA	0.1