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Asarylaldehyde

CAT: 0013-GTR19159476-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159476-04Size:50 mg
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Description
Asaraldehyde, a natural COX-2 inhibitor, exhibits 17-fold selectivity than COX-1.
CAS Number
4460-86-0
Product Name Alternative
Asaronaldehyde | Asaraldehyde
Purity
>98% (HPLC)
Solubility
H2O : < 0.1 mg/mL
Smiles
COc1cc (c (cc1C=O) OC) OC
Molecular Formula
C10H12O4
Molecular Weight
196.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2,4,5-Trimethoxybenzaldehyde

2,4,5-trimethoxybenzaldehyde is a carbonyl compound.

CAS Number4460-86-0
PubChem CID20525
IUPAC Name2,4,5-trimethoxybenzaldehyde
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity183
SMILES
COC1=CC(=C(C=C1C=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
InChIKey
IAJBQAYHSQIQRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trimethoxybenzaldehyde
CAS: 4460-86-0
CID: 20525
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19171601-01Asaraldehyde

Alternative Products

CatalogName
TN1408-01Asarylaldehyde

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