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Home > Other Heterocycles > 91385-08-9
91385-08-9 | Bicyclo[5.3.2]dodeca-6,11-dien-2-one, 11,12-dimethyl-
CAS No: 91385-08-9 Catalog No: AG006BHE MDL No:
Product Description
Catalog Number:
AG006BHE
Chemical Name:
Bicyclo[5.3.2]dodeca-6,11-dien-2-one, 11,12-dimethyl-
CAS Number:
91385-08-9
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
11,12-dimethylbicyclo[5.3.2]dodeca-6,11-dien-2-one
InChI:
InChI=1S/C14H20O/c1-10-11(2)13-8-5-7-12(10)6-3-4-9-14(13)15/h6,13H,3-5,7-9H2,1-2H3
InChI Key:
IABUNYHWHLRLOL-UHFFFAOYSA-N
SMILES:
CC1=C(C)C2CCCC1=CCCCC2=O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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