Ethyl 3-nonenoate
PubChem CID: 533721
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| Compound Synonyms | ethyl 3-nonenoate, ethyl non-3-enoate, 91213-30-8, 3-nonenoic acid ethyl ester, DTXSID10336428, KQCNXVHFHZAHDW-UHFFFAOYSA-N, Q27159518 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | KQCNXVHFHZAHDW-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 13.0 |
| Compound Name | Ethyl 3-nonenoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl non-3-enoate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -2.6721297999999996 |
| Inchi | InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h8-9H,3-7,10H2,1-2H3 |
| Smiles | CCCCCC=CCC(=O)OCC |
| Xlogp | 3.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H20O2 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients