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Coniferyl aldehyde

CAT: 1410-M18564-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M18564-02Size:1 mL x 10 mM in DMSO
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Description
An isoflavonoid with potential antioxidant activity.
CAS Number
458-36-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
178.18
Molecular Formula
C10H10O3
Notes
Research use only, not for human use.
Receptor
Antioxidant

Chemical Information

Coniferaldehyde

Coniferyl aldehyde is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as an antifungal agent and a plant metabolite. It is a member of guaiacols, a member of cinnamaldehydes and a phenylpropanoid. It is functionally related to an (E)-cinnamaldehyde.

CAS Number458-36-6
PubChem CID5280536
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP1.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
COC1=C(C=CC(=C1)/C=C/C=O)O
InChI
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKey
DKZBBWMURDFHNE-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Coniferaldehyde
CAS: 458-36-6
CID: 5280536
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
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

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CatalogName
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