7-methoxy-8-[(Z)-3-oxobut-1-enyl]chromen-2-one
PubChem CID: 13917411
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4175401 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-8-[(Z)-3-oxobut-1-enyl]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNFVAKUIMOKUQL-UTCJRWHESA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.143 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.691 |
| Compound Name | 7-methoxy-8-[(Z)-3-oxobut-1-enyl]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7564363111111108 |
| Inchi | InChI=1S/C14H12O4/c1-9(15)3-6-11-12(17-2)7-4-10-5-8-13(16)18-14(10)11/h3-8H,1-2H3/b6-3- |
| Smiles | CC(=O)/C=C\C1=C(C=CC2=C1OC(=O)C=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients