Benzoic acid, 2-(acetyloxy)-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester

(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-acetyloxybenzoate

CAS: 55798-60-2

Molecular Formula	`C19H21NO6`
Molecular Weight	359.4 g/mol
LogP	2.1
Topological Polar Surface Area	98.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	359.1369
Heavy Atoms	26
Complexity	620.0

Chemical Identifiers

CAS Number	55798-60-2
SMILES	`CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2OC(=O)C)CC`
InChIKey	`KUSBTKTZVSMCOI-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 2-(acetyloxy)-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester (CAS: 55798-60-2) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.4 g/mol. Its IUPAC systematic name is (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-acetyloxybenzoate. LogP 2.1 Topological Polar Surface Area 98.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 359.1369 Heavy Atoms 26 Complexity 620.0 InChI Key: KUSBTKTZVSMCOI-UHFFFAOYSA-N. SMILES: CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2OC(=O)C)CC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Benzoic acid, 2-(acetyloxy)-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester.

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