Home Other Building Blocks 2-Butynoic acid

2-Butynoic acid

CAS No.:
590-93-2
Catalog Number:
AG00371C
Molecular Formula:
C4H4O2
Molecular Weight:
84.0734
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$42
- +
10g
98%
In Stock USA
United States
$82
- +
25g
98%
In Stock USA
United States
$182
- +
100g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG00371C
Chemical Name:
2-Butynoic acid
CAS Number:
590-93-2
Molecular Formula:
C4H4O2
Molecular Weight:
84.0734
MDL Number:
MFCD00004363
IUPAC Name:
but-2-ynoic acid
InChI:
InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
InChI Key:
LUEHNHVFDCZTGL-UHFFFAOYSA-N
SMILES:
CC#CC(=O)O
EC Number:
209-695-7
NSC Number:
174116
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.021g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
84.074g/mol
Monoisotopic Mass:
84.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Solution and nanoscale structure selection: implications for the crystal energy landscape of tetrolic acid. Physical chemistry chemical physics : PCCP 20120707
Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3. The Journal of biological chemistry 20110325
Methyl 1H-1,2,3-triazole-4-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20090201
Spatial and seasonal trends in biogenic secondary organic aerosol tracers and water-soluble organic carbon in the southeastern United States. Environmental science & technology 20080715
Computational study of solvent effects on the molecular self-assembly of tetrolic acid in solution and implications for the polymorph formed from crystallization. The journal of physical chemistry. B 20080703
Reaction of thioketones with propiolic acids. Organic & biomolecular chemistry 20060721
Synthesis of carbocyclic hydantocidins via regioselective and diastereoselective phosphine-catalyzed [3 + 2]-cycloadditions to 5-methylenehydantoins. The Journal of organic chemistry 20050805
Linking solution chemistry to crystal nucleation: the case of tetrolic acid. Chemical communications (Cambridge, England) 20050328
A phosphine-catalyzed [3+2] cycloaddition strategy leading to the first total synthesis of (-)-hinesol. The Journal of organic chemistry 20030808
Stereoselective oxidative additions of iodoalkanes and activated alkynes to a sulfido-bridged heterotrinuclear early-late (TiIr2) complex. Inorganic chemistry 20030616
Use of some novel alternative electron sinks to inhibit ruminal methanogenesis. Reproduction, nutrition, development 20030101
X-H (X = C, N, O, P, S) bond activations induced by beta-heterosubstituted zirconaindenes. Chemistry (Weinheim an der Bergstrasse, Germany) 20010105
Properties