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Home > Other Heterocycles > 16618-85-2
16618-85-2 | Cyclohexanone, 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
CAS No: 16618-85-2 Catalog No: AG001WJJ MDL No:
Product Description
Catalog Number:
AG001WJJ
Chemical Name:
Cyclohexanone, 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
CAS Number:
16618-85-2
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-one
InChI:
InChI=1S/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-12,14-15H,4-9H2,1-3H3
InChI Key:
JDCNLAJKUCCOHO-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)C1CC2CC1C(C2(C)C)C
EC Number:
240-667-7
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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