Trans-Cinnamaldehyde

Chemical Information
(E)-cinnamaldehyde is the E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a sensitiser, a hypoglycemic agent, a flavouring agent, a vasodilator agent, an antifungal agent, an EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor and a plant metabolite. It is a 3-phenylprop-2-enal and a member of cinnamaldehydes.
| CAS Number | 14371-10-9 |
| PubChem CID | 637511 |
| IUPAC Name | (E)-3-phenylprop-2-enal |
| Molecular Formula | C9H8O |
| Molecular Weight | 132.16 |
| XLogP | 1.9 |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121 |
| Property | Value |
|---|---|
| Molecular Weight | 132.16 |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.057514874 |
| Monoisotopic Mass | 132.057514874 |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 121 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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