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Dehydrozingerone

CAT: 0013-GTR19244376-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244376-07Size:100 mg
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Description
Dehydrozingerone is a naturally occurring molecule. Dehydrozingerone is a versatile compound that has been extensively studied for its various biochemical and physiological effects.
CAS Number
1080-12-2
Purity
>98% (HPLC)
Smiles
COc1cc (\C=C\C (C) =O) ccc1O
Molecular Formula
C11H12O3
Molecular Weight
192.21
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dehydrozingerone

Dehydrozingerone is a hydroxycinnamic acid.

CAS Number1080-12-2
PubChem CID5354238
IUPAC Name(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Molecular FormulaC11H12O3
Molecular Weight192.21
XLogP1.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity223
SMILES
CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChIKey
AFWKBSMFXWNGRE-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of Dehydrozingerone
CAS: 1080-12-2
CID: 5354238
Formula: C11H12O3
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass192.078644241
Monoisotopic Mass192.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity223
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