4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione
Also Known As: Aloetic acid|EINECS 209-307-6|4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone|4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione|4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitro-anthrachinon|1,8-dihydroxy-3-(hydroxymethyl)-2,4,5,7-tetranitroanthraquinone|1,8-Dihydroxy-3-hydroxymethyl-2,4,5,7-tetranitro-9,10-anthracenedione|4,5-Dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-9,10-anthracenedione|9,10-Anthracenedione,4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-|9,10-Anthracenedione, 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-|4,5-DIHYDROXY-2-(HYDROXYMETHYL)-1,3,6,8-TETRANITRO-9,10-DIHYDROANTHRACENE-9,10-DIONE
| Molecular Formula | C15H6N4O13 |
|---|---|
| Molecular Weight | 449.99313 g/mol |
| LogP | 0.9983 |
| Topological Polar Surface Area | 267.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.99313 |
| Monoisotopic Mass | 449.99313 |
| Heavy Atoms | 32 |
| Complexity | 1329.8301 |
Chemical Identifiers
| CAS Number | 567-95-3 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone (CAS 567-95-3), with molecular formula C15H6N4O13 and molecular weight 449.99313 g/mol. IUPAC: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione.