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Home > Nitro Compounds > 89807-61-4
89807-61-4 | 2-Propen-1-one, 2-methyl-3-(4-methylphenyl)-1-(4-nitrophenyl)-
CAS No: 89807-61-4 Catalog No: AG003ZBC MDL No:
Product Description
Catalog Number:
AG003ZBC
Chemical Name:
2-Propen-1-one, 2-methyl-3-(4-methylphenyl)-1-(4-nitrophenyl)-
CAS Number:
89807-61-4
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2-methyl-3-(4-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO3/c1-12-3-5-14(6-4-12)11-13(2)17(19)15-7-9-16(10-8-15)18(20)21/h3-11H,1-2H3
InChI Key:
HSCTUHGLMNDCIP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=C(C(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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