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89524-47-0 | Cyclohexanone, 3-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-, trans-
CAS No: 89524-47-0 Catalog No: AG0040QJ MDL No:
Product Description
Catalog Number:
AG0040QJ
Chemical Name:
Cyclohexanone, 3-[4-(1,1-dimethylethyl)phenyl]-2-phenyl-, trans-
CAS Number:
89524-47-0
Molecular Formula:
C22H26O
Molecular Weight:
306.4412
IUPAC Name:
(2R,3R)-3-(4-tert-butylphenyl)-2-phenylcyclohexan-1-one
InChI:
InChI=1S/C22H26O/c1-22(2,3)18-14-12-16(13-15-18)19-10-7-11-20(23)21(19)17-8-5-4-6-9-17/h4-6,8-9,12-15,19,21H,7,10-11H2,1-3H3/t19-,21-/m0/s1
InChI Key:
UZNBXTDIIPTBOW-FPOVZHCZSA-N
SMILES:
CC(c1ccc(cc1)[C@@H]1CCCC(=O)[C@H]1c1ccccc1)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
306.198g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.449g/mol
Monoisotopic Mass:
306.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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