8,8-Dimethylpyrano[2,3-f]chromene-2,9,10-trione
PubChem CID: 162804728
Connections displayed (default: 10).
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| Topological Polar Surface Area | 69.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,8-dimethylpyrano[2,3-f]chromene-2,9,10-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQOWUTHTUAEEKG-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.645 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.616 |
| Compound Name | 8,8-Dimethylpyrano[2,3-f]chromene-2,9,10-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7800934842105263 |
| Inchi | InChI=1S/C14H10O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6H,1-2H3 |
| Smiles | CC1(C(=O)C(=O)C2=C(O1)C=CC3=C2OC(=O)C=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients