Sodiumoleate
PubChem CID: 44135713
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| Compound Synonyms | Sodiumoleate, 9-Octadecenoic acid, sodium salt (1:1), 16558-02-4, AKOS030228290, SY066617 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, octadec-9-enoate |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H33NaO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCKXLBQYZLBQEK-UHFFFAOYSA-M |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.559 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.549 |
| Compound Name | Sodiumoleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.238 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.238 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20, /h9-10H,2-8,11-17H2,1H3,(H,19,20), /q, +1/p-1 |
| Smiles | CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients