6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one
PubChem CID: 14701353
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| Compound Synonyms | 6,7-dihydroxychroman-2-one, 15017-41-1, YD6WZU5W6D, 6,7-Dihydroxyhydrocoumarin, Hydrocoumarin, 6,7-dihydroxy-, UNII-YD6WZU5W6D, 3,4-Dihydro-6,7-dihydroxy-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 3,4-dihydro-6,7-dihydroxy-, 6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one, SCHEMBL11791192, DTXSID70563177, 6,7-dihydroxy-3,4-dihydrocoumarin |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dihydroxy-3,4-dihydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C9H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QNHQEUFMIKRNTB-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.686 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.322 |
| Compound Name | 6,7-Dihydroxy-3,4-dihydro-2H-1-benzopyran-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8844242615384617 |
| Inchi | InChI=1S/C9H8O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h3-4,10-11H,1-2H2 |
| Smiles | C1CC(=O)OC2=CC(=C(C=C21)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baphia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lasiosiphon Kraussianus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Morinda Morindoides (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Populus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sasa Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sedum Forsteri (Plant) Rel Props:Source_db:cmaup_ingredients