Cosatrienoic acid
PubChem CID: 157667
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| Compound Synonyms | Icosa-2,4,6-trienoic acid, cosatrienoic acid, DTXSID60949825 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosa-2,4,6-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBWMTEYXFFWPIF-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -4.971 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.735 |
| Compound Name | Cosatrienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.972937999999999 |
| Inchi | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h14-19H,2-13H2,1H3,(H,21,22) |
| Smiles | CCCCCCCCCCCCCC=CC=CC=CC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients