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Home > Nitro Compounds > 87082-26-6
87082-26-6 | 2,4-Pentadien-1-one, 1-(3-nitrophenyl)-5-phenyl-
CAS No: 87082-26-6 Catalog No: AG004UY0 MDL No:
Product Description
Catalog Number:
AG004UY0
Chemical Name:
2,4-Pentadien-1-one, 1-(3-nitrophenyl)-5-phenyl-
CAS Number:
87082-26-6
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
1-(3-nitrophenyl)-5-phenylpenta-2,4-dien-1-one
InChI:
InChI=1S/C17H13NO3/c19-17(15-10-6-11-16(13-15)18(20)21)12-5-4-9-14-7-2-1-3-8-14/h1-13H
InChI Key:
DAIJPOQUZMFSOB-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])C=CC=Cc1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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