Ethyl 9-decenoate
PubChem CID: 522255
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| Compound Synonyms | Ethyl 9-decenoate, Ethyl dec-9-enoate, 67233-91-4, 9-Decenoic acid, ethyl ester, UNII-OI02K838CN, OI02K838CN, CHEBI:87338, DTXSID90334902, 9-DECENOIC ACID ETHYL ESTER, SCHEMBL1006866, DTXCID00285991, SCA23391, AKOS025296131, NS00120424, Q27159541, 614-039-1 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl dec-9-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKOJTZORTHALGP-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 10.0 |
| Compound Name | Ethyl 9-decenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9987971999999994 |
| Inchi | InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3H,1,4-11H2,2H3 |
| Smiles | CCOC(=O)CCCCCCCC=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients