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Home Other Building Blocks Ethyl 2-cyanopropanoate

Ethyl 2-cyanopropanoate

CAS No.:
1572-99-2
Catalog Number:
AG001P9Y
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$10
- +
5g
95%
In Stock USA
United States
$32
- +
25g
~90%(GC)
In Stock USA
United States
$75
- +
100g
~90%(GC)
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG001P9Y
Chemical Name:
Ethyl 2-cyanopropanoate
CAS Number:
1572-99-2
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00013812
IUPAC Name:
ethyl 2-cyanopropanoate
InChI:
InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3
InChI Key:
MIHRVXYXORIINI-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC)C#N
EC Number:
216-393-9
NSC Number:
68508
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Neutral and cationic chiral NCN pincer nickel(II) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization. Dalton transactions (Cambridge, England : 2003) 20110921
Double bonds in motion: bis(oxazolinylmethyl)pyrroles and their metal-induced planarization to a new class of rigid chiral C2-symmetric complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 20030414
Palladium-catalyzed hydrocarbonation and hydroamination of 3,3-dihexylcyclopropene with pronucleophiles. The Journal of organic chemistry 20030321
Properties