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140679-53-4 | [1,1'-Bicyclohexyl]-2-one, 1'-(diphenylamino)-
CAS No: 140679-53-4 Catalog No: AG001COB MDL No:
Product Description
Catalog Number:
AG001COB
Chemical Name:
[1,1'-Bicyclohexyl]-2-one, 1'-(diphenylamino)-
CAS Number:
140679-53-4
Molecular Formula:
C24H29NO
Molecular Weight:
347.4932
IUPAC Name:
2-[1-(N-phenylanilino)cyclohexyl]cyclohexan-1-one
InChI:
InChI=1S/C24H29NO/c26-23-17-9-8-16-22(23)24(18-10-3-11-19-24)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,12-15,22H,3,8-11,16-19H2
InChI Key:
WHIFNVVOFUWZOE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C1(CCCCC1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.502g/mol
Monoisotopic Mass:
347.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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