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200133-49-9 | 2-Cyclohexen-1-one, 3-(trans-4-phenylcyclohexyl)-6-propyl-
CAS No: 200133-49-9 Catalog No: AG002CKE MDL No:
Product Description
Catalog Number:
AG002CKE
Chemical Name:
2-Cyclohexen-1-one, 3-(trans-4-phenylcyclohexyl)-6-propyl-
CAS Number:
200133-49-9
Molecular Formula:
C21H28O
Molecular Weight:
296.4464
IUPAC Name:
3-(4-phenylcyclohexyl)-6-propylcyclohex-2-en-1-one
InChI:
InChI=1S/C21H28O/c1-2-6-19-13-14-20(15-21(19)22)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,2,6,9-14H2,1H3
InChI Key:
DDNSIQVAPQQTQO-UHFFFAOYSA-N
SMILES:
CCCC1CCC(=CC1=O)[C@@H]1CC[C@H](CC1)c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.454g/mol
Monoisotopic Mass:
296.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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