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Home > Other Heterocycles > 90820-47-6
90820-47-6 | 3-Oxabicyclo[3.2.1]octan-2-one, 5,8,8-trimethyl-
CAS No: 90820-47-6 Catalog No: AG006M26 MDL No:
Product Description
Catalog Number:
AG006M26
Chemical Name:
3-Oxabicyclo[3.2.1]octan-2-one, 5,8,8-trimethyl-
CAS Number:
90820-47-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)6-12-8(7)11/h7H,4-6H2,1-3H3
InChI Key:
DBRCQDHKXZLHJE-UHFFFAOYSA-N
SMILES:
O=C1OCC2(C(C1CC2)(C)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:
2.2
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