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Acetovanillone

CAT: 0013-GTR19159161Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159161Size:1 g
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Description
Acetovanillone is obtained from the rhizomes of several species of Apocynum; a selective inhibitor of NADPH oxidase.
CAS Number
498-02-2
Product Name Alternative
Acetovanillone | NSC 209524
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 100 mg/mL 601.79 mM; H2O : < 0.1 mg/mL
Smiles
CC (=O) c1cc (c (cc1) O) OC
Molecular Formula
C9H10O3
Molecular Weight
166.17
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4'-Hydroxy-3'-methoxyacetophenone

Chemical Information

Acetovanillone

Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor and a plant metabolite. It is a member of acetophenones, a methyl ketone and an aromatic ketone.

CAS Number498-02-2
PubChem CID2214
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)ethanone
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP0.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC(=O)C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKey
DFYRUELUNQRZTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetovanillone
CAS: 498-02-2
CID: 2214
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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

Alternative Products

CatalogName
AB2675Acetovanillone
MBS385245-01Apocynin (Acetovanillone)
sc-479407Acetovanillone-d3
A04920-01Acetovanillone 95%
T125411-01Acetovanillone primeveroside
299875Acetovanillone (Apocynin)
A11989-1000Apocynin (Acetovanillone) 1000mg
A11989-5000Apocynin (Acetovanillone) 5g
A11989-2000Apocynin (Acetovanillone) 2000mg
A11989-500Apocynin (Acetovanillone) 500mg

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