2,6-Nonadienal, (2E,6E)-
PubChem CID: 636687
Connections displayed (default: 10).
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| Compound Synonyms | 17587-33-6, 2,6-Nonadienal, (E,E)-, trans,trans-2,6-Nonadienal, (2E,6E)-nona-2,6-dienal, 2,6-Nonadienal, (2E,6E)-, (2E,6E)-2,6-Nonadienal, 2-trans,6-trans-Nonadienal, trans-2-trans-6-Nonadienal, FEMA No. 3766, (E,E)-2,6-nonadienal, XB6T1Z4FH7, 2,6-Nonadienal, trans,trans-, ZE-Nona-2,6-dienal, EINECS 241-557-1, (2E,6E)-Nona-2,6-dien-1-al, (2E,6E)-NONADIENAL, FEMA 3766, DTXSID70884975, Nona-2,6-dienal, 2-trans-6-trans-Nonadienal, FEMA 3377, 2,6-trans,trans-Nonadienal, UNII-XB6T1Z4FH7, nonadienal (2e, 6z), SCHEMBL309545, Nona-trans-2-cis-6-dien-1-al, DTXCID50909675, LMFA06000046, AKOS025294733, LS-13664, NS00087454, G65524, Q27293755, trans,trans-2,6-Nonadienal, >=95%, stabilized, FG |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E)-nona-2,6-dienal |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C9H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZYHMHHBBBSGHB-DYWGDJMRSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -2.848 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.273 |
| Compound Name | 2,6-Nonadienal, (2E,6E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.7592020000000002 |
| Inchi | InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+,8-7+ |
| Smiles | CC/C=C/CC/C=C/C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all