Home Other Building Blocks Methyl cyanoacetate

Methyl cyanoacetate

CAS No.:
105-34-0
Catalog Number:
AG00358O
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00358O
Chemical Name:
Methyl cyanoacetate
CAS Number:
105-34-0
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD00001939
IUPAC Name:
methyl 2-cyanoacetate
InChI:
InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
InChI Key:
ANGDWNBGPBMQHW-UHFFFAOYSA-N
SMILES:
COC(=O)CC#N
EC Number:
203-288-8
UNII:
A28RI36V30
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
4-Dimethylamino pyridine-promoted one-pot three-component regioselective synthesis of highly functionalized 4H-thiopyrans via heteroannulation of β-oxodithioesters. ACS combinatorial science 20120312
Methyl c-1-cyano-t-2-methyl-sulfonyl-3-phenyl-cyclo-propane-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110601
Electron attachment to dye-sensitized solar cell components: cyanoacetic acid. The journal of physical chemistry. A 20110217
Superacid-catalyzed intramolecular cyclization reaction of arylcyanopropionate: geminal substitution effect on superelectrophilicity. The Journal of organic chemistry 20080606
Thiourea-catalyzed asymmetric michael addition of activated methylene compounds to alpha,beta-unsaturated imides: dual activation of imide by intra- and intermolecular hydrogen bonding. Journal of the American Chemical Society 20060726
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Guanosine analog in the pyrido[2,3-d]pyrimidine ring system as a potential toll-like receptor agonist. Nucleosides, nucleotides & nucleic acids 20060101
Synthesis of 1,1-disubstituted-2,6-diarylcyclohexane-4-ones catalyzed by KF/basic Al2O3 under ultrasound. Ultrasonics sonochemistry 20050801
Catalytic asymmetric total syntheses of quinine and quinidine. Journal of the American Chemical Society 20040128
Properties