(7-Oxofuro[3,2-g]chromen-9-yl) 2-hydroxyacetate
PubChem CID: 162848078
Connections displayed (default: 10).
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| Topological Polar Surface Area | 86.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-oxofuro[3,2-g]chromen-9-yl) 2-hydroxyacetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C13H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHNACLJWDADFPC-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.461 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.47 |
| Compound Name | (7-Oxofuro[3,2-g]chromen-9-yl) 2-hydroxyacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 260.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5851619894736837 |
| Inchi | InChI=1S/C13H8O6/c14-6-10(16)19-13-11-8(3-4-17-11)5-7-1-2-9(15)18-12(7)13/h1-5,14H,6H2 |
| Smiles | C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OC(=O)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Source_db:cmaup_ingredients