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85203-06-1 | 2-Cyclohexen-1-one, 3-[phenyl(phenylmethyl)amino]-
CAS No: 85203-06-1 Catalog No: AG004MG0 MDL No:
Product Description
Catalog Number:
AG004MG0
Chemical Name:
2-Cyclohexen-1-one, 3-[phenyl(phenylmethyl)amino]-
CAS Number:
85203-06-1
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
3-(N-benzylanilino)cyclohex-2-en-1-one
InChI:
InChI=1S/C19H19NO/c21-19-13-7-12-18(14-19)20(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-6,8-11,14H,7,12-13,15H2
InChI Key:
MDDRWHZJHPRXAK-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)N(c1ccccc1)Cc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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