2,6-Dimethoxyanthracene-9,10-dione
PubChem CID: 4589998
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| Compound Synonyms | 2,6-dimethoxyanthracene-9,10-dione, 2,6-dimethoxyanthraquinone, 963-96-2, 2,6-Dimethoxy-anthraquinone, CHEMBL294206, SCHEMBL2252533, DTXSID50404630, VZXGMACDZPAQOP-UHFFFAOYSA-N, AKOS024341759 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | VZXGMACDZPAQOP-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 2,6-Dimethoxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethoxyanthracene-9,10-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.2911616 |
| Inchi | InChI=1S/C16H12O4/c1-19-9-3-5-11-13(7-9)15(17)12-6-4-10(20-2)8-14(12)16(11)18/h3-8H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)OC |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H12O4 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients