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Home > Other Heterocycles > 17760-98-4
17760-98-4 | Bicyclo[2.2.2]oct-5-en-2-one, 4,7,7-trimethyl-
CAS No: 17760-98-4 Catalog No: AG0025ES MDL No:
Product Description
Catalog Number:
AG0025ES
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 4,7,7-trimethyl-
CAS Number:
17760-98-4
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
4,7,7-trimethylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C11H16O/c1-10(2)7-11(3)5-4-8(10)9(12)6-11/h4-5,8H,6-7H2,1-3H3
InChI Key:
GVWSKNXEWDOKHH-UHFFFAOYSA-N
SMILES:
O=C1CC2(C)C=CC1C(C2)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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