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3-Butynoic acid (Standard)

CAT: 0804-HY-W004784RSize: 1 EachDry Ice: NoHazardous: No
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Description
3-Butynoic acid (Standard) is the analytical standard of 3-Butynoic acid. This product is intended for research and analytical applications. 3-Butynoic acid is an inhibitor of acyl CoA dehydrogenase. 3-Butynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. 3-Butynoic acid can reduce the formation of propionate and acrylic acid concentration-dependently[1].
CAS Number
2345-51-9
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Smiles
C#CCC(O)=O
Molecular Formula
C4H4O2
Molecular Weight
84.07
References & Citations
[1]Akedo, M., et al. Direct Demonstration of Lactate–Acrylate Interconversion in Clostridium Propionicum. Nat Biotechnol 1, 791–794 (1983) .
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Butynoic Acid

3-butynoic acid is a monocarboxylic acid consisting of acetylene carrying a carboxymethyl group. It is a monocarboxylic acid and a terminal acetylenic compound. It is a conjugate acid of a 3-butynoate.

CAS Number2345-51-9
PubChem CID137547
IUPAC Namebut-3-ynoic acid
Molecular FormulaC4H4O2
Molecular Weight84.07
XLogP0
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity95
SMILES
C#CCC(=O)O
InChI
InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
InChIKey
KKAHGSQLSTUDAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Butynoic Acid
CAS: 2345-51-9
CID: 137547
Formula: C4H4O2
MW: 84.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight84.07
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass84.021129366
Monoisotopic Mass84.021129366
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity95.4
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