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Home > Other Heterocycles > 123696-07-1
123696-07-1 | 6,8-Dioxabicyclo[3.2.1]octane, 5,7-dimethyl-7-phenyl-
CAS No: 123696-07-1 Catalog No: AG000KYZ MDL No:
Product Description
Catalog Number:
AG000KYZ
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane, 5,7-dimethyl-7-phenyl-
CAS Number:
123696-07-1
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
InChI:
InChI=1S/C14H18O2/c1-13-10-6-9-12(15-13)14(2,16-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChI Key:
HDSIJJQKDYURHY-UHFFFAOYSA-N
SMILES:
CC12CCCC(O1)C(O2)(C)c1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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