3-(1-Pyridinio)-1-propanesulfonate

Catalog Number	ACM15471177-2
CAS	15471-17-7
Structure
Synonyms	1-Pyridiniumpropane-1-sulfonate
IUPAC Name	3-Pyridin-1-ium-1-ylpropane-1-sulfonate
Molecular Weight	201.25
Molecular Formula	C8H11NO3S
Canonical SMILES	C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
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
Purity	99%+
Solubility	Soluble in water
Appearance	Powder
Storage	Sealed in dry, room temperature
Complexity	213
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	201.04596439
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
MDL Number	MFCD00064468
Monoisotopic Mass	201.04596439
Physical State	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	69.5 Ų

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