Acetic acid, cyano-, 2-propenyl ester


Chemical Name: Acetic acid, cyano-, 2-propenyl ester
CAS Number: 13361-32-5
Product Number: AG003NPO(AGN-PC-0JKIHC)
Synonyms:
MDL No:
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253

Identification/Properties


Properties
BP:
110 °C20 mm Hg(lit.)
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.443(lit.)
Computed Properties
Molecular Weight:
125.127g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
125.048g/mol
Monoisotopic Mass:
125.048g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
154
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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