2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (E)-2-methylbut-2-enoate
PubChem CID: 12303797
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| Topological Polar Surface Area | 61.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 589.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (E)-2-methylbut-2-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Is Pains | False |
| Molecular Formula | C19H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JRIBPWOXWIRQOQ-VZUCSPMQSA-N |
| Fcsp3 | 0.3684210526315789 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (E)-2-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 328.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.173890133333334 |
| Inchi | InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5+ |
| Smiles | C/C=C(\C)/C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients