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89062-06-6 | Methanone, [3-(2,4-dimethylphenyl)-1-methylcyclohexyl]phenyl-
CAS No: 89062-06-6 Catalog No: AG00412C MDL No:
Product Description
Catalog Number:
AG00412C
Chemical Name:
Methanone, [3-(2,4-dimethylphenyl)-1-methylcyclohexyl]phenyl-
CAS Number:
89062-06-6
Molecular Formula:
C22H26O
Molecular Weight:
306.4412
IUPAC Name:
[3-(2,4-dimethylphenyl)-1-methylcyclohexyl]-phenylmethanone
InChI:
InChI=1S/C22H26O/c1-16-11-12-20(17(2)14-16)19-10-7-13-22(3,15-19)21(23)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15H2,1-3H3
InChI Key:
HZOMHMQWQNCUPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C1CCCC(C1)(C)C(=O)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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