(2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one - CAS 78089-99-3

Name: (2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
Brand: BOC Sciences
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Catalog:	BB067396
Product Name:	(2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
CAS:	78089-99-3
Synonyms:	(2E)-3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one; 3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one; (E)-3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one; 3-(dimethylamino)-1-(4-nitrophenyl)-2-propen-1-one; 2-Propen-1-one, 3-(dimethylamino)-1-(4-nitrophenyl)-, (2E)-; 1-(4-nitrophenyl)-3-N,N-dimethylamino-2-propen-1-one

Technical Data

IUPAC Name:	(E)-3-(dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
Description:	(2E)-3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
Molecular Weight:	220.22
Molecular Formula:	C11H12N2O3
Canonical SMILES:	CN(C)C=CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C11H12N2O3/c1-12(2)8-7-11(14)9-3-5-10(6-4-9)13(15)16/h3-8H,1-2H3/b8-7+
InChI Key:	LIOPOMJNIUNMRH-BQYQJAHWSA-N

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	220.08479225
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.08479225
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9