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Trans-Cinnamaldehyde

CAT: 1596-AR-C02893-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAS Number
14371-10-9
Synonyms
Cinnamaldehyde; (2E) -3-Phenyl-2-propenal; (E) -3-Phenyl-2-propenal; (E) -Cinnamaldehyde; (E) -3-Phenylacrolein; (E) -3-Phenylprop-2-en-1-al; (E) -3-Phenylprop-2-enal; (E) -3-Phenylprop-2-enone; (E) -3-Phenylpropenal; (E) -Cinnamaldehyde; E-Cinnamyl aldehyde; trans-3-Phenyl-2-propenal; trans-3-Phenylpropenal; trans-Benzenepropenal; trans-Cinnamic Aldehyde; trans-Cinnamylaldehyde
Molecular Formula
C9H8O
Molecular Weight
132.16
API Name
Cinnamaldehyde

Chemical Information

Cinnamaldehyde

(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 Number14371-10-9
PubChem CID637511
IUPAC Name(E)-3-phenylprop-2-enal
Molecular FormulaC9H8O
Molecular Weight132.16
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity121
SMILES
C1=CC=C(C=C1)/C=C/C=O
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of Cinnamaldehyde
CAS: 14371-10-9
CID: 637511
Formula: C9H8O
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass132.057514874
Monoisotopic Mass132.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes