CID 11829369
PubChem CID: 11829369
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| Compound Synonyms | (2Z,4E)-HEXA-2,4-DIENAL, 54716-12-0, cis,trans-2,4-hexadienal, FEMA 3429 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | (E,E)-2,4-Hexadienal is a flavouring ingredient. It is found in olives, roasted peanuts, tomato, caviar, fish, and tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E)-hexa-2,4-dienal |
| Nih Violation | True |
| Class | Organooxygen compounds |
| Xlogp | 1.2 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbonyl compounds |
| Molecular Formula | C6H8O |
| Inchi Key | BATOPAZDIZEVQF-IAROGAJJSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | FEMA 3429, 1,3-Pentadiene-1-carboxaldehyde, 2-Propylene acrolein, 2-Propyleneacrolein, 2,4-Hexadien-1-al, 3-Propyleneacrolein, Hexa-2,4-dienal, Hexadienal, n-Hex-2,4-dienal, Sorbaldehyde, Sorbic aldehyde |
| Compound Name | CID 11829369 |
| Kingdom | Organic compounds |
| Exact Mass | 96.0575 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 96.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 96.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4- |
| Smiles | C/C=C/C=C\C=O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Medium-chain aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all