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Home > Other Heterocycles > 96536-76-4
96536-76-4 | 2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl-
CAS No: 96536-76-4 Catalog No: AG006QOY MDL No:
Product Description
Catalog Number:
AG006QOY
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl-
CAS Number:
96536-76-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
1-ethenyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C8H12O3/c1-3-8-9-4-7(2,5-10-8)6-11-8/h3H,1,4-6H2,2H3
InChI Key:
LVUZHPRJZZIPTH-UHFFFAOYSA-N
SMILES:
C=CC12OCC(CO1)(CO2)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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