Ethyl 9-oxononanoate
PubChem CID: 18915
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| Compound Synonyms | ETHYL 9-OXONONANOATE, 3433-16-7, 9-Oxononanoic acid ethyl ester, Nonanoic acid, 9-oxo-, ethyl ester, DTXSID10187896, ethyl-9-oxononanoate, Ethyl 9-oxononanoate #, Ethyl 9-oxononanoic acid, SCHEMBL1686744, DTXCID70110387, DB-142519, G90512 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 9-oxononanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVICDIQCDUVBFK-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -2.161 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.147 |
| Compound Name | Ethyl 9-oxononanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 200.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8455236 |
| Inchi | InChI=1S/C11H20O3/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h10H,2-9H2,1H3 |
| Smiles | CCOC(=O)CCCCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients