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Home Other Building Blocks 3-Butynoic acid

3-Butynoic acid

CAS No.:
2345-51-9
Catalog Number:
AG002NA2
Molecular Formula:
C4H4O2
Molecular Weight:
84.0734
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$446
- +
10g
98%
In Stock USA
United States
$779
- +
25g
98%
In Stock USA
United States
$1678
- +
Product Description
Catalog Number:
AG002NA2
Chemical Name:
3-Butynoic acid
CAS Number:
2345-51-9
Molecular Formula:
C4H4O2
Molecular Weight:
84.0734
MDL Number:
MFCD02258494
IUPAC Name:
but-3-ynoic acid
InChI:
InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
InChI Key:
KKAHGSQLSTUDAV-UHFFFAOYSA-N
SMILES:
OC(=O)CC#C
EC Number:
607-235-3
Properties
Complexity:
95.4  
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:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
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
Rhenium(I)-catalyzed cyclization of silyl enol ethers containing a propargyl carboxylate moiety: versatile access to highly substituted phenols. Chemistry (Weinheim an der Bergstrasse, Germany) 20100426
Bioorthogonal chemical reporters for monitoring protein acetylation. Journal of the American Chemical Society 20100324
Ruthenium-catalyzed [1,n]-metallotropic shift (n = 3, 5) of alkynyl carbene complex intermediates. Journal of the American Chemical Society 20060726
Properties