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Home Carboxys 1-Cyano-1-cyclopropanecarboxylic acid

1-Cyano-1-cyclopropanecarboxylic acid

CAS No.:
6914-79-0
Catalog Number:
AG003E8Y
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$17
- +
5g
97%
In Stock USA
United States
$50
- +
10g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$175
- +
100g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003E8Y
Chemical Name:
1-Cyano-1-cyclopropanecarboxylic acid
CAS Number:
6914-79-0
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD00190651
IUPAC Name:
1-cyanocyclopropane-1-carboxylic acid
InChI:
InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
InChI Key:
KSJJMSKNZVXAND-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)C(=O)O
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^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
TfNH2 as achiral hydrogen-bond donor additive to enhance the selectivity of a transition metal catalyzed reaction. Highly enantio- and diastereoselective rhodium-catalyzed cyclopropanation of alkenes using alpha-cyano diazoacetamide. Journal of the American Chemical Society 20090527
Synthesis, bioactivity, theoretical and molecular docking study of 1-cyano-N-substituted-cyclopropanecarboxamide as ketol-acid reductoisomerase inhibitor. Bioorganic & medicinal chemistry letters 20070701
Properties