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Home > Other Heterocycles > 93097-25-7
93097-25-7 | 2-Oxabicyclo[3.2.1]octan-3-one, 6,6-dimethyl-, (1R)-
CAS No: 93097-25-7 Catalog No: AG006IGG MDL No:
Product Description
Catalog Number:
AG006IGG
Chemical Name:
2-Oxabicyclo[3.2.1]octan-3-one, 6,6-dimethyl-, (1R)-
CAS Number:
93097-25-7
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
6,6-dimethyl-2-oxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C9H14O2/c1-9(2)5-7-3-6(9)4-8(10)11-7/h6-7H,3-5H2,1-2H3
InChI Key:
IWLFWNDQMFPFKZ-UHFFFAOYSA-N
SMILES:
O=C1O[C@@H]2CC(C1)C(C2)(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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