(7-Oxofuro[3,2-g]chromen-9-yl) propanoate
PubChem CID: 162912767
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| Topological Polar Surface Area | 65.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7-oxofuro[3,2-g]chromen-9-yl) propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVKJYPHPLKSTFL-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.2 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.45 |
| Compound Name | (7-Oxofuro[3,2-g]chromen-9-yl) propanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.278535589473684 |
| Inchi | InChI=1S/C14H10O5/c1-2-10(15)18-14-12-9(5-6-17-12)7-8-3-4-11(16)19-13(8)14/h3-7H,2H2,1H3 |
| Smiles | CCC(=O)OC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
| 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