2,5-Dihydroxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-one
PubChem CID: 90474530
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dihydroxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C7H4O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTMDFGXAORFIDA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.576 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.047 |
| Compound Name | 2,5-Dihydroxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.011 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.011 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 152.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.320712636363637 |
| Inchi | InChI=1S/C7H4O4/c8-3-1-2-4(9)6-5(3)7(10)11-6/h1-2,8-9H |
| Smiles | C1=CC(=C2C(=C1O)C(=O)O2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Manshurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Rigescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gentiana Scabra (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gentiana Triflora (Plant) Rel Props:Source_db:cmaup_ingredients