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Home > Nitro Compounds > 139650-43-4
139650-43-4 | 2-Propen-1-one, 2-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-
CAS No: 139650-43-4 Catalog No: AG001BGH MDL No:
Product Description
Catalog Number:
AG001BGH
Chemical Name:
2-Propen-1-one, 2-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-
CAS Number:
139650-43-4
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C14H17N3O3/c1-11(2)14(18)16-9-7-15(8-10-16)12-3-5-13(6-4-12)17(19)20/h3-6H,1,7-10H2,2H3
InChI Key:
SADKRRKDSNWCGW-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C(=C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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