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Acaricidal agent-1

CAT: 0013-GTR19249793-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249793-02Size:50 mg
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Description
Acaricidal agent-1 (Compound 34) is a research chemical demonstrating activity against Psoroptes cuniculi mites, with a reported LC50 of 0.82 mM. This small molecule is a useful tool for in vitro parasitology studies investigating novel acaricidal mechanisms and control strategies.
CAS Number
123293-78-7
Smiles
C (=C/C (OCC) =O) \C=1C=CN=CC1
Molecular Formula
C10H11NO2
Molecular Weight
177.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-ethyl 3-(pyridin-4-yl)acrylate
CAS Number123293-78-7
PubChem CID10352231
IUPAC Nameethyl (E)-3-pyridin-4-ylprop-2-enoate
Molecular FormulaC10H11NO2
Molecular Weight177.20
XLogP1.5
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
CCOC(=O)/C=C/C1=CC=NC=C1
InChI
InChI=1S/C10H11NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3/b4-3+
InChIKey
ABZPCWYIRGIXJP-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of (E)-ethyl 3-(pyridin-4-yl)acrylate
CAS: 123293-78-7
CID: 10352231
Formula: C10H11NO2
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass177.078978594
Monoisotopic Mass177.078978594
Topological Polar Surface Area39.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
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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