4,5-Dimethoxy-[1,3]dioxolo[4,5-h]chromen-8-one
PubChem CID: 12135129
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| Topological Polar Surface Area | 63.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethoxy-[1,3]dioxolo[4,5-h]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C12H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMGUZQZZMQBVFF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.664 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.335 |
| Compound Name | 4,5-Dimethoxy-[1,3]dioxolo[4,5-h]chromen-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 250.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6514883111111105 |
| Inchi | InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3 |
| Smiles | COC1=C(C2=C(C3=C1C=CC(=O)O3)OCO2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients