2-(5,7-Dimethoxy-2-oxochromen-8-yl)acetaldehyde
PubChem CID: 101914294
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| Compound Synonyms | CHEMBL3426670 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5,7-dimethoxy-2-oxochromen-8-yl)acetaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C13H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRXWQDFUTLGHRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -2.38 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.188 |
| Compound Name | 2-(5,7-Dimethoxy-2-oxochromen-8-yl)acetaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 248.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2489619111111108 |
| Inchi | InChI=1S/C13H12O5/c1-16-10-7-11(17-2)9(5-6-14)13-8(10)3-4-12(15)18-13/h3-4,6-7H,5H2,1-2H3 |
| Smiles | COC1=CC(=C(C2=C1C=CC(=O)O2)CC=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients