(2R)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
PubChem CID: 101671141
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDMOREUAQLXRCQ-GFCCVEGCSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.153 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.085 |
| Compound Name | (2R)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3876662666666664 |
| Inchi | InChI=1S/C15H12O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-6,12H,1,7H2,2H3/t12-/m1/s1 |
| Smiles | CC(=C)[C@H]1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients