4-Heptenal, (4E)-
PubChem CID: 5283318
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| Compound Synonyms | (E)-Hept-4-enal, 4-Heptenal, trans-4-Heptenal, 929-22-6, 4-Heptenal, (E)-, 4-Heptenal, (4E)-, Hept-trans-4-enal, (E)-4-hepten-1-al, WLK79PR715, (4E)-4-Heptenal, EINECS 213-198-0, 4-HEPTENAL, TRANS-, cis-4-Hepten-1-al, 4-Heptenal, DTXSID801020908, (e)-4-heptenal, UNII-WLK79PR715, (4E)-4-Heptenal #, SCHEMBL241955, DTXCID70909490, CHEBI:195661, LMFA06000021, AKOS006228666, LS-13307, NS00012517, D90892, Q27292708, 213-198-0 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-hept-4-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C7H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VVGOCOMZRGWHPI-ONEGZZNKSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.909 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.669 |
| Compound Name | 4-Heptenal, (4E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.1723663999999998 |
| Inchi | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+ |
| Smiles | CC/C=C/CCC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients