7-Hydroxy-5-methoxy-2-oxochromene-8-carbaldehyde
PubChem CID: 11447323
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5-methoxy-2-oxochromene-8-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFBNQPHBEVEYDK-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -3.236 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.37 |
| Compound Name | 7-Hydroxy-5-methoxy-2-oxochromene-8-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4411159999999998 |
| Inchi | InChI=1S/C11H8O5/c1-15-9-4-8(13)7(5-12)11-6(9)2-3-10(14)16-11/h2-5,13H,1H3 |
| Smiles | COC1=C2C=CC(=O)OC2=C(C(=C1)O)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heracleum Yungningense (Plant) Rel Props:Source_db:cmaup_ingredients