1-Benzyl-3-carboxylatopyridinium sodium chloride

Catalog Number	ACM68133608-1
CAS	68133-60-8
Structure
Synonyms	Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt
IUPAC Name	Sodium;1-benzylpyridin-1-ium-3-carboxylate;chloride
Molecular Weight	271.67
Molecular Formula	C13H11ClNNaO2
Canonical SMILES	C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-].[Na+].[Cl-]
InChI	InChI=1S/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2;1H;/q;+1/p-1
InChI Key	ONCDUCAWXQKSDE-UHFFFAOYSA-M
Purity	36%
Storage	Store in a dry, ventilated area
Exact Mass	271.0376006
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	271.0376006
Rotatable-Bond Count	2
Topological Polar Surface Area	44 Ų

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