Octa-3,5-diene-2,7-dione, 4,5-dihydroxy-
PubChem CID: 5367917
Connections displayed (default: 10).
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| Compound Synonyms | 4,5-dihydroxy-3,5-octadiene-2,7-dione, (3Z,5Z)-4,5-dihydroxyocta-3,5-diene-2,7-dione, Octa-3,5-diene-2,7-dione, 4,5-dihydroxy-, 435275-07-3, HLFIPASKZAVILY-VHOZIDCHSA-N, AC6142, (3Z,5Z)-4,5-Dihydroxy-3,5-octadiene-2,7-dione #, 434340-63-3 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,5Z)-4,5-dihydroxyocta-3,5-diene-2,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C8H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLFIPASKZAVILY-VHOZIDCHSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.83 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.937 |
| Compound Name | Octa-3,5-diene-2,7-dione, 4,5-dihydroxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.0057168 |
| Inchi | InChI=1S/C8H10O4/c1-5(9)3-7(11)8(12)4-6(2)10/h3-4,11-12H,1-2H3/b7-3-,8-4- |
| Smiles | CC(=O)/C=C(\O)/C(=C/C(=O)C)/O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients