2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester structure

2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester

ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate

Also Known As: ethyl 5-phenyl-4,5-dihydroisoxazole-3-carboxylate|2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester|3-ethoxycarbonyl-5-phenyl-4,5-dihydroisoxazole|5-Phenyl-2-isoxazoline-3-carboxylicacidethylester|ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate|Ethyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylate|ethyl 5-phenyl-4,5-dihydroisoxazol-3-ylcarboxylate|5-phenyl-2-isoxazoline-3-carboxylic acid ethyl ester|Ethyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylate #|4,5-Dihydro-5-phenyl-3-isoxazolecarboxylic acid ethyl ester|5-phenyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester|5-phenyl-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester|3-Isoxazolecarboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester

CAS: 7064-04-2
Molecular Formula C12H13NO3
Molecular Weight 219.08954 g/mol
LogP 2.0
Topological Polar Surface Area 47.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 219.08954
Monoisotopic Mass 219.08954
Heavy Atoms 16
Complexity 282.0

Chemical Identifiers

CAS Number 7064-04-2
SMILES CCOC(=O)C1=NOC(C1)C2=CC=CC=C2
InChIKey YNZGZAJXHXGDBF-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (175 patents) Heterocyclic Building Blocks (38 patents) Organic Building Blocks (4 patents) Pharmaceutical Intermediates (10 patents)

Product Overview

2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester (CAS 7064-04-2), with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol. IUPAC: ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.

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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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