Compound C13H12ClNO3

pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride

CAS: 53890-73-6

Molecular Formula	`C13H12ClNO3`
Molecular Weight	265.69 g/mol
Topological Polar Surface Area	60.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	265.05057
Heavy Atoms	18
Complexity	257.0

Chemical Identifiers

CAS Number	53890-73-6
SMILES	`C1=CC=C(C(=C1)C(=O)OCC2=C[NH+]=CC=C2)O.[Cl-]`
InChIKey	`QBKWBUMZNBVBQP-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H12ClNO3 (CAS: 53890-73-6) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.69 g/mol. Its IUPAC systematic name is pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride. Topological Polar Surface Area 60.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 265.05057 Heavy Atoms 18 Complexity 257.0 InChI Key: QBKWBUMZNBVBQP-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C(=O)OCC2=C[NH+]=CC=C2)O.[Cl-].

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