AC1O5MQZ structure

AC1O5MQZ

2-[N-(2-benzoyloxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]ethyl benzoate

Also Known As: 2-Propenoic acid, 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2-cyano-, ethyl ester|Cinnamic acid, p-(bis(2-hydroxyethyl)amino)-alpha-cyano-, ethyl ester, dibenzoate (ester)|Ethyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2-cyanoacrylate|Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2-cyanoacrylate|2-Propenoic acid, 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2-cyano-, ethyl ester|{[4-(2-Cyano-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl]azanediyl}di(ethane-2,1-diyl) dibenzoate|2-[N-(2-benzoyloxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]ethyl benzoate

CAS: 65086-95-5
Molecular Formula C30H28N2O6
Molecular Weight 512.19476 g/mol
LogP 4.67708
Topological Polar Surface Area 105.93 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 12
Exact Mass 512.19476
Monoisotopic Mass 512.19476
Heavy Atoms 38
Complexity 1224.3281

Chemical Identifiers

CAS Number 65086-95-5
SMILES CCOC(=O)/C(=C/C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)/C#N

Product Overview

AC1O5MQZ (CAS 65086-95-5), with molecular formula C30H28N2O6 and molecular weight 512.19476 g/mol. IUPAC: 2-[N-(2-benzoyloxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]anilino]ethyl benzoate.

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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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