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89787-28-0 | Cyclohexanone, 2,2'-[[(4-methylphenyl)imino]bis(methylene)]bis-
CAS No: 89787-28-0 Catalog No: AG003ZW3 MDL No:
Product Description
Catalog Number:
AG003ZW3
Chemical Name:
Cyclohexanone, 2,2'-[[(4-methylphenyl)imino]bis(methylene)]bis-
CAS Number:
89787-28-0
Molecular Formula:
C21H29NO2
Molecular Weight:
327.4605
IUPAC Name:
2-[[4-methyl-N-[(2-oxocyclohexyl)methyl]anilino]methyl]cyclohexan-1-one
InChI:
InChI=1S/C21H29NO2/c1-16-10-12-19(13-11-16)22(14-17-6-2-4-8-20(17)23)15-18-7-3-5-9-21(18)24/h10-13,17-18H,2-9,14-15H2,1H3
InChI Key:
DWYYWRRSSAGYBW-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CN(c1ccc(cc1)C)CC1CCCCC1=O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.468g/mol
Monoisotopic Mass:
327.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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