(6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
PubChem CID: 11298065
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| Compound Synonyms | CHEMBL4460421 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAXNUTINVDSFEU-BQBZGAKWSA-N |
| Fcsp3 | 0.375 |
| Logs | -1.039 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.922 |
| Compound Name | (6R,7aS)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7014237999999998 |
| Inchi | InChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m0/s1 |
| Smiles | C1[C@H](C=CC2=CC(=O)O[C@H]21)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securinega Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients