9-Hydroxy-7-oxofuro[3,2-g]chromene-4-carbaldehyde
PubChem CID: 10585521
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-7-oxofuro[3,2-g]chromene-4-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C12H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZLIADGKTKXZFY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.455 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.741 |
| Compound Name | 9-Hydroxy-7-oxofuro[3,2-g]chromene-4-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 230.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5968673529411763 |
| Inchi | InChI=1S/C12H6O5/c13-5-8-6-1-2-9(14)17-12(6)10(15)11-7(8)3-4-16-11/h1-5,15H |
| Smiles | C1=CC(=O)OC2=C(C3=C(C=CO3)C(=C21)C=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients