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143768-20-1 | 2-Cyclohexen-1-one, 2-acetyl-3-[(4-methylphenyl)amino]-5-phenyl-
CAS No: 143768-20-1 Catalog No: AG001IBY MDL No:
Product Description
Catalog Number:
AG001IBY
Chemical Name:
2-Cyclohexen-1-one, 2-acetyl-3-[(4-methylphenyl)amino]-5-phenyl-
CAS Number:
143768-20-1
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
1-[2-hydroxy-6-(4-methylphenyl)imino-4-phenylcyclohexen-1-yl]ethanone
InChI:
InChI=1S/C21H21NO2/c1-14-8-10-18(11-9-14)22-19-12-17(16-6-4-3-5-7-16)13-20(24)21(19)15(2)23/h3-11,17,24H,12-13H2,1-2H3
InChI Key:
RXAWGYHHNHCQLY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC1=C(C(=O)C)C(=O)CC(C1)c1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.404g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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