Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate structure

Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate

methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate

Also Known As: methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate|Benzenebutanoic acid,a-acetyl-2-nitro-,methyl ester|Benzenebutanoic acid, a-acetyl-2-nitro-, methyl ester|METHYL 2-[2-(2-NITROPHENYL)ETHYL]-3-OXO-BUTANOATE

CAS: 59372-48-4
Molecular Formula C13H15NO5
Molecular Weight 265.09503 g/mol
LogP 2.1
Topological Polar Surface Area 89.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 265.09503
Monoisotopic Mass 265.09503
Heavy Atoms 19
Complexity 349.0

Chemical Identifiers

CAS Number 59372-48-4
SMILES CC(=O)C(CCC1=CC=CC=C1[N+](=O)[O-])C(=O)OC
InChIKey IPZPRFPPFMZPCX-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Dyes & Pigments (1 patents) Organic Building Blocks (6 patents)

Product Overview

Methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate (CAS 59372-48-4), with molecular formula C13H15NO5 and molecular weight 265.09503 g/mol. IUPAC: methyl 2-[2-(2-nitrophenyl)ethyl]-3-oxobutanoate.

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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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