9-[(E)-3-methyl-4-(5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
PubChem CID: 5318396
Connections displayed (default: 10).
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| Topological Polar Surface Area | 75.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-[(E)-3-methyl-4-(5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJOQBYPPAKFCAK-WUXMJOGZSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.293 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.051 |
| Compound Name | 9-[(E)-3-methyl-4-(5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3371204000000008 |
| Inchi | InChI=1S/C20H16O6/c1-12(10-15-3-5-16(21)25-15)6-8-24-20-18-14(7-9-23-18)11-13-2-4-17(22)26-19(13)20/h2-7,9,11,15H,8,10H2,1H3/b12-6+ |
| Smiles | C/C(=C\COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/CC4C=CC(=O)O4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients