(Z)-7-Dodecenal
PubChem CID: 6430185
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| Compound Synonyms | (Z)-7-Dodecenal, (Z)-dodec-7-enal, 7Z-Dodecenal, 63851-40-1, 7-dodecenal, Z, 7-Dodecenal, (Z)-, 7-Dodecenal, (7Z)-, HTUHYXDEKCWDCI-WAYWQWQTSA-N, LMFA06000162, A901993 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-dodec-7-enal |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C12H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTUHYXDEKCWDCI-WAYWQWQTSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.162 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.06 |
| Compound Name | (Z)-7-Dodecenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8648033999999996 |
| Inchi | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,12H,2-4,7-11H2,1H3/b6-5- |
| Smiles | CCCC/C=C\CCCCCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fissistigma Polyanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients