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Apopinene

CAT: 0013-GTR19240730-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240730-01Size:10 mg
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Description
Apopinene is a neurotoxic small molecule isolated from Aconitum species. It serves as a research tool for studying neurotoxicity mechanisms and ion channel function in vitro, with historical relevance in toxicology and traditional medicine.
CAS Number
32863-61-9
Smiles
C1=CC2CC (C1) C2 (C) C
Molecular Formula
C9H14
Molecular Weight
122.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apopinene

6,6-dimethylbicyclo[3.1.1]hept-2-ene has been reported in Lavandula stoechas with data available.

CAS Number32863-61-9
PubChem CID244024
IUPAC Name6,6-dimethylbicyclo[3.1.1]hept-2-ene
Molecular FormulaC9H14
Molecular Weight122.21
XLogP2.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity153
SMILES
CC1(C2CC=CC1C2)C
InChI
InChI=1S/C9H14/c1-9(2)7-4-3-5-8(9)6-7/h3-4,7-8H,5-6H2,1-2H3
InChIKey
SUEFRHDDZDWKFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apopinene
CAS: 32863-61-9
CID: 244024
Formula: C9H14
MW: 122.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.21
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass122.109550447
Monoisotopic Mass122.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8387-01Apopinene

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