2H,11H-[1,3]Dioxolo[4,5-A]xanthen-11-one
PubChem CID: 71359024
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Methylendioxyxanthon, 27825-57-6, DTXSID00782910, 2H,11H-[1,3]DIOXOLO[4,5-A]XANTHEN-11-ONE |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [1,3]dioxolo[4,5-a]xanthen-11-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Is Pains | False |
| Molecular Formula | C14H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFZOJIXJAMHBEG-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 2H,11H-[1,3]Dioxolo[4,5-A]xanthen-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.042 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 240.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 240.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.996482355555555 |
| Inchi | InChI=1S/C14H8O4/c15-13-8-3-1-2-4-9(8)18-10-5-6-11-14(12(10)13)17-7-16-11/h1-6H,7H2 |
| Smiles | C1OC2=C(O1)C3=C(C=C2)OC4=CC=CC=C4C3=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iphigenia Indica (Plant) Rel Props:Source_db:cmaup_ingredients