4,5-Dihydro-2-benzofuran-1,3-dione
PubChem CID: 22908190
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| Compound Synonyms | SCHEMBL1872402 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dihydro-2-benzofuran-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C8H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCIDWCNTDVLGKP-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.97 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.871 |
| Compound Name | 4,5-Dihydro-2-benzofuran-1,3-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3882245999999998 |
| Inchi | InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3H,2,4H2 |
| Smiles | C1CC2=C(C=C1)C(=O)OC2=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients