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Home > Other Heterocycles > 154920-73-7
154920-73-7 | 6,7,8-Trioxabicyclo[3.2.2]nonane
CAS No: 154920-73-7 Catalog No: AG001NHQ MDL No:
Product Description
Catalog Number:
AG001NHQ
Chemical Name:
6,7,8-Trioxabicyclo[3.2.2]nonane
CAS Number:
154920-73-7
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
6,7,8-trioxabicyclo[3.2.2]nonane
InChI:
InChI=1S/C6H10O3/c1-2-5-4-7-6(3-1)9-8-5/h5-6H,1-4H2
InChI Key:
HLLJALYRKMMVRR-UHFFFAOYSA-N
SMILES:
C1CC2OCC(C1)OO2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Topological study of the late steps of the artemisinin decomposition process: modeling the outcome of the experimentally obtained products. | The journal of physical chemistry. B 20110120 |
| A topological study of the decomposition of 6,7,8-trioxabicyclo[3.2.2]nonane induced by Fe(II): modeling the artemisinin reaction with heme. | The journal of physical chemistry. B 20100121 |
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