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Home > Nitro Compounds > 74599-23-8
74599-23-8 | 2-Propen-1-one, 3-(4-methoxyphenyl)-1-(2-nitrophenyl)-
CAS No: 74599-23-8 Catalog No: AG005AMT MDL No:
Product Description
Catalog Number:
AG005AMT
Chemical Name:
2-Propen-1-one, 3-(4-methoxyphenyl)-1-(2-nitrophenyl)-
CAS Number:
74599-23-8
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
3-(4-methoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17(19)20/h2-11H,1H3
InChI Key:
GLFRBWDJHGYAFB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 3-(4-Methoxy-phen-yl)-1-(2-nitrophen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20091201 |
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