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Home > Nitro Compounds > 13909-56-3
13909-56-3 | 2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-
CAS No: 13909-56-3 Catalog No: AG001A9B MDL No:
Product Description
Catalog Number:
AG001A9B
Chemical Name:
2-Propen-1-one, 3-(4-methylphenyl)-1-(4-nitrophenyl)-
CAS Number:
13909-56-3
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO3/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(10-8-14)17(19)20/h2-11H,1H3
InChI Key:
SBRXCTYIGBXNJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=CC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| (E)-3-(4-Methyl-phen-yl)-1-(4-nitro-phenyl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080601 |
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