Benzylidene-benzoylacetic acid ethyl ester structure

Benzylidene-benzoylacetic acid ethyl ester

ethyl 2-benzoyl-3-phenylprop-2-enoate

Also Known As: ethyl benzylidenebenzoylacetate|ethyl 2-benzoyl-3-phenylprop-2-enoate|benzylidene-benzoylacetic acid ethyl ester|benzylidenebenzoylacetic acid ethyl ester|ethyl 2-benzoyl-3-phenyl-prop-2-enoate|ethyl (Z)-2-benzoyl-3-phenylprop-2-enoate|Benzenepropanoic acid, .beta.-oxo-.alpha.-(phenylmethylene)-, ethyl ester

CAS: 17451-18-2
Molecular Formula C18H16O3
Molecular Weight 280.10995 g/mol
LogP 3.9
Topological Polar Surface Area 43.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 6
Exact Mass 280.10995
Monoisotopic Mass 280.10995
Heavy Atoms 21
Complexity 385.0

Chemical Identifiers

CAS Number 17451-18-2
SMILES CCOC(=O)C(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChIKey BHKXLHNAIARBLO-UHFFFAOYSA-N

Patent-Derived Application Labels

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

Heterocyclic Building Blocks (14 patents) Pharmaceutical Intermediates (3 patents)

Product Overview

Benzylidene-benzoylacetic acid ethyl ester (CAS 17451-18-2), with molecular formula C18H16O3 and molecular weight 280.10995 g/mol. IUPAC: ethyl 2-benzoyl-3-phenylprop-2-enoate.

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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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