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Home > Nitro Compounds > 18096-97-4
18096-97-4 | 2-Propen-1-one, 1-(4-nitrophenyl)-3-(2-pyridinyl)-
CAS No: 18096-97-4 Catalog No: AG0022IG MDL No:
Product Description
Catalog Number:
AG0022IG
Chemical Name:
2-Propen-1-one, 1-(4-nitrophenyl)-3-(2-pyridinyl)-
CAS Number:
18096-97-4
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
1-(4-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
InChI:
InChI=1S/C14H10N2O3/c17-14(9-6-12-3-1-2-10-15-12)11-4-7-13(8-5-11)16(18)19/h1-10H
InChI Key:
DYGZKSFWHRDUCX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=Cc1ccccn1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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