Non-2-enal
PubChem CID: 17166
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| Compound Synonyms | Non-2-enal, 2-NONENAL, Nonenal, 2-Nonen-1-al, 2463-53-8, 3-Hexylacrolein, 30551-15-6, CHEBI:61726, beta-Hexylacrolein, Heptylideneacetaldehyde, alpha-Nonenyl aldehyde, 3-hexyl-acrolein, .beta.-Hexylacrolein, .alpha.-Nonenyl aldehyde, n-non-2-enal, (Z)-2-nonen-1-al, Epitope ID:143640, DTXSID3047219, SY048802, DB-044673, NS00093618, Q27131346, trans-2-Nonenal (contains trans-2-Nonenal diethyl acetal) (ca. 10% in Ethanol, ca. 0.57 mol/L) |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | non-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C9H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BSAIUMLZVGUGKX-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.733 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.671 |
| Compound Name | Non-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2979012 |
| Inchi | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3 |
| Smiles | CCCCCCC=CC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all