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Home > Nitro Compounds > 6552-62-1
6552-62-1 | 3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 6552-62-1 Catalog No: AG00F3VP MDL No:MFCD00024746
Product Description
Catalog Number:
AG00F3VP
Chemical Name:
3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
6552-62-1
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD00024746
IUPAC Name:
(E)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13NO4/c1-21-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(8-6-13)17(19)20/h2-11H,1H3/b11-4+
InChI Key:
OEFOVQFJRDIUTL-NYYWCZLTSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
75522
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Chalcones and flavonoids as anti-tuberculosis agents. | Bioorganic & medicinal chemistry 20020801 |
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