(3R)-3-[[(3R)-2,4-dioxochromen-3-yl]methyl]chromene-2,4-dione
PubChem CID: 40623351
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| Topological Polar Surface Area | 86.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 559.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R)-3-[[(3R)-2,4-dioxochromen-3-yl]methyl]chromene-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIZKPJUTKKJDGA-CHWSQXEVSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.576 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.175 |
| Compound Name | (3R)-3-[[(3R)-2,4-dioxochromen-3-yl]methyl]chromene-2,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9815538000000004 |
| Inchi | InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,12-13H,9H2/t12-,13-/m1/s1 |
| Smiles | C1=CC=C2C(=C1)C(=O)[C@H](C(=O)O2)C[C@@H]3C(=O)C4=CC=CC=C4OC3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeis Guineensis (Plant) Rel Props:Source_db:cmaup_ingredients