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1-(2-Hydroxy-3-sulphonatopropyl)pyridinium

Catalog Number ACM3918738-1
CAS 3918-73-8
Structure 1-(2-Hydroxy-3-sulphonatopropyl)pyridinium
Synonyms Pyridinium hydroxy propyl sulfobetaine
IUPAC Name 2-Hydroxy-3-pyridin-1-ium-1-ylpropane-1-sulfonate
Molecular Weight 217.24
Molecular Formula C8H11NO4S
Canonical SMILES C1=CC=[N+](C=C1)CC(CS(=O)(=O)[O-])O
InChI InChI=1S/C8H11NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChI Key RJPRZHQPROLZRW-UHFFFAOYSA-N
Boiling Point 111 °C
Purity 45%+
Solubility Quite soluble in water
Appearance Liquid
Storage Sealed in dry, 2-8 °C
Exact Mass 217.04087901
Hydrogen-Bond Acceptor Count 4
Hydrogen-Bond Donor Count 1
Monoisotopic Mass 217.04087901
Rotatable-Bond Count 3
Topological Polar Surface Area 89.7 Ų
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