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Home Nitriles 2-Propenenitrile, 2-(acetyloxy)-

2-Propenenitrile, 2-(acetyloxy)-

CAS No.:
3061-65-2
Catalog Number:
AG0030OH
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(GC)
1 week
United States
$409
- +
25g
>97.0%(GC)
1 week
United States
$1191
- +
Product Description
Catalog Number:
AG0030OH
Chemical Name:
2-Propenenitrile, 2-(acetyloxy)-
CAS Number:
3061-65-2
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD00001868
IUPAC Name:
1-cyanoethenyl acetate
InChI:
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
InChI Key:
LFSHREXVLSTLFB-UHFFFAOYSA-N
SMILES:
CC(=O)OC(=C)C#N
EC Number:
221-303-6
NSC Number:
512313
Properties
Complexity:
163  
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:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/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
Mapping molecular conformations with multiple-mode two-dimensional infrared spectroscopy. The journal of physical chemistry. A 20110421
Reaction of 2,2-bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-dimethylfulvene: cycloadditions and a rearrangement. The Journal of organic chemistry 20030110
Properties