Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt

Catalog Number	ACM15990439
CAS	15990-43-9
Structure
Synonyms	N-Benzylniacin
IUPAC Name	1-Benzylpyridin-1-ium-3-carboxylate
Molecular Weight	213.23
Molecular Formula	C13H11NO2
Canonical SMILES	C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-]
InChI	InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChI Key	AVWFAACIXBQMBF-UHFFFAOYSA-N
Purity	34%+
Solubility	Soluble in water
Appearance	Liquid
Storage	Store in a dry, ventilated area
Exact Mass	213.078978594
Hydrogen-Bond Acceptor Count	2
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	213.078978594
Rotatable-Bond Count	2
Topological Polar Surface Area	44 Ų

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