anti-Benzene trioxide
3,6,9-trioxatetracyclo[6.1.0.02,4.05,7]nonane
Also Known As: anti-Benzene trioxide|benzene trioxide|cis-Benzene trioxide|syn-Benzene trioxide|C12OC2C3OC3C4C1O4|cis-Trioxatris-.sigma.-homobenzene|cis-Inositol, 1,2:3,4:5,6-trianhydro-|5-19-09-00156 (Beilstein Handbook Reference)|3,6,9-Trioxatetracyclo(6.1.0.0(sup 2,4).0(sup 5,7))nonane, anti-|3,6,9-trioxatetracyclo[6.1.0.0~2,4~.0~5,7~]nonane|3,6,9-TRIOXATETRACYCLO[6.1.0.02,4.05,7]NONANE|3,6,9-Trioxatetracyclo[6.1.0.02,4.05,7]nonane (9CI)|(1R,2R,4R,5S,7R,8S)-3,6,9-trioxatetracyclo[6.1.0.02,4.05,7]nonane|3,6,9-Trioxatetracyclo[6.1.0.0(2,4).0(5,7)]nonane, cis-inositol deriv.|(1alpha,2alpha,4alpha,5alpha,7alpha,8alpha)-3,6,9-Trioxatetracyclo[6.1.0.02,4.05,7]nonane|3,6,9-Trioxatetracyclo[6.1.0.0(2,4).0(5,7)]nonane, (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-|3,6,9-Trioxatetracyclo[6.1.0.02,4.05,7]nonane, (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.)-
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03169 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 37.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 129.5 |
Chemical Identifiers
| CAS Number | 39078-13-2 |
|---|---|
| SMILES | C12C(O1)C3C(O3)C4C2O4 |
Product Overview
anti-Benzene trioxide (CAS 39078-13-2), with molecular formula C6H6O3 and molecular weight 126.03169 g/mol. IUPAC: 3,6,9-trioxatetracyclo[6.1.0.02,4.05,7]nonane.
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