9-Eicosenoic acid
PubChem CID: 94159
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| Compound Synonyms | 9-Eicosenoic acid, Icos-9-enoic acid, 506-31-0, 9-eicosaenoic acid, EINECS 208-032-9, DTXSID6060135, CHEBI:180273, LQJBNNIYVWPHFW-UHFFFAOYSA-N, EBA20402, NS00019902 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icos-9-enoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C20H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LQJBNNIYVWPHFW-UHFFFAOYSA-N |
| Fcsp3 | 0.85 |
| Logs | -6.046 |
| Rotatable Bond Count | 17.0 |
| Logd | 3.773 |
| Compound Name | 9-Eicosenoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.136836400000001 |
| Inchi | InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22) |
| Smiles | CCCCCCCCCCC=CCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients