3,7,8-Trimethoxychromen-2-one
PubChem CID: 5321163
Connections displayed (default: 10).
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| Compound Synonyms | Schinicoumarin, 3,7,8-trimethoxychromen-2-one, 168074-91-7, 3,7,8-trimethoxycoumarin |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,8-trimethoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C12H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPCDNRZQWAURND-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.452 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.403 |
| Compound Name | 3,7,8-Trimethoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 236.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8883767176470587 |
| Inchi | InChI=1S/C12H12O5/c1-14-8-5-4-7-6-9(15-2)12(13)17-10(7)11(8)16-3/h4-6H,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)C=C(C(=O)O2)OC)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients