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(2Z)-2-(4-Nitrobenzylidene)quinuclidin-3-one
[CAS# 78961-43-0]

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Identification
Name (2Z)-2-(4-Nitrobenzylidene)quinuclidin-3-one
Synonyms 2-(4-nitrobenzylidene)quinuclidin-3-one; 2-[(4-nitrophenyl)methylene]-3-quinuclidinone; 3-[(4-nitrophenyl)methylene]-4-azabicyclo[2.2.2]octan-2-one
Molecular Structure CAS#: 78961-43-0, (2Z)-2-(4-Nitrobenzylidene)quinuclidin-3-one
Molecular Formula C14H14N2O3
Molecular Weight 258.27
CAS Registry Number 78961-43-0
SMILES C1CN\2CCC1C(=O)/C2=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI 1S/C14H14N2O3/c17-14-11-5-7-15(8-6-11)13(14)9-10-1-3-12(4-2-10)16(18)19/h1-4,9,11H,5-8H2/b13-9-
InChIKey WYLOZSIGADKNRC-LCYFTJDESA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 147-149°C (Expl.)
Boiling point 440.6±44.0°C at 760 mmHg (Cal.)
Flash point 220.3±28.4°C (Cal.)
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