(2S)-9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
PubChem CID: 139088001
Connections displayed (default: 10).
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VIUKEEZPYOJNOJ-JTQLQIEISA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.179 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.964 |
| Compound Name | (2S)-9-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.436536311111111 |
| Inchi | InChI=1S/C14H12O4/c1-7(2)10-6-9-5-8-3-4-11(15)18-13(8)12(16)14(9)17-10/h3-5,10,16H,1,6H2,2H3/t10-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O |
| 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