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294865-06-8 | 2-Cyclohexen-1-one, 6-(4-fluorophenyl)-3-(trans-4-propylcyclohexyl)-
CAS No: 294865-06-8 Catalog No: AG002YJZ MDL No:
Product Description
Catalog Number:
AG002YJZ
Chemical Name:
2-Cyclohexen-1-one, 6-(4-fluorophenyl)-3-(trans-4-propylcyclohexyl)-
CAS Number:
294865-06-8
Molecular Formula:
C21H27FO
Molecular Weight:
314.4369
IUPAC Name:
6-(4-fluorophenyl)-3-(4-propylcyclohexyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C21H27FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(21(23)14-18)17-8-11-19(22)12-9-17/h8-9,11-12,14-16,20H,2-7,10,13H2,1H3
InChI Key:
SVPGQAYJXGMIQN-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C1=CC(=O)C(CC1)c1ccc(cc1)F
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.444g/mol
Monoisotopic Mass:
314.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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