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Home > Other Heterocycles > 101221-23-2
101221-23-2 | 2-Oxabicyclo[2.2.2]octan-5-one, 1,3,3-trimethyl-
CAS No: 101221-23-2 Catalog No: AG0003ZN MDL No:
Product Description
Catalog Number:
AG0003ZN
Chemical Name:
2-Oxabicyclo[2.2.2]octan-5-one, 1,3,3-trimethyl-
CAS Number:
101221-23-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-one
InChI:
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7H,4-6H2,1-3H3
InChI Key:
RFXTXEOQEMTRHL-UHFFFAOYSA-N
SMILES:
O=C1CC2(C)CCC1C(O2)(C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Herbicidal activity of cineole derivatives. | Journal of agricultural and food chemistry 20100922 |
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