2-Propenenitrile, 2-(acetyloxy)-


Chemical Name: 2-Propenenitrile, 2-(acetyloxy)-
CAS Number: 3061-65-2
Product Number: AG0030OH(AGN-PC-0JKDZX)
Synonyms:
MDL No:
Molecular Formula: C5H5NO2
Molecular Weight: 111.0987

Identification/Properties


Properties
BP:
80-82°C at 30 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.426(lit.)
Computed Properties
Molecular Weight:
111.1g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
111.032g/mol
Monoisotopic Mass:
111.032g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
163
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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