Compound C18H18ClNO3

(3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride

CAS: 29538-91-8

Molecular Formula	`C18H18ClNO3`
Molecular Weight	331.8 g/mol
Topological Polar Surface Area	54.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	331.09753
Heavy Atoms	23
Complexity	392.0

Chemical Identifiers

CAS Number	29538-91-8
SMILES	`C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O.[Cl-]`
InChIKey	`RNYPDJICEWHDEW-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H18ClNO3 (CAS: 29538-91-8) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.8 g/mol. Its IUPAC systematic name is (3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride. Topological Polar Surface Area 54.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 331.09753 Heavy Atoms 23 Complexity 392.0 InChI Key: RNYPDJICEWHDEW-UHFFFAOYSA-N. SMILES: C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O.[Cl-].

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