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82832-73-3 | 4-(trans-4-Propylcyclohexyl);cyclohexanone
CAS No: 82832-73-3 Catalog No: AG003KAR MDL No:MFCD04038797
Product Description
Catalog Number:
AG003KAR
Chemical Name:
4-(trans-4-Propylcyclohexyl);cyclohexanone
CAS Number:
82832-73-3
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
MDL Number:
MFCD04038797
IUPAC Name:
4-(4-propylcyclohexyl)cyclohexan-1-one
InChI:
InChI=1S/C15H26O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-14H,2-11H2,1H3
InChI Key:
AKCZQKBKWXBJOF-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C1CCC(=O)CC1
EC Number:
617-391-4
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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