Methyl Isocyanoacetate


Chemical Name: Methyl Isocyanoacetate
CAS Number: 39687-95-1
Product Number: AG003S0P(AGN-PC-0WAE3C)
Synonyms:
MDL No:
Molecular Formula: C4H5NO2
Molecular Weight: 99.0880

Identification/Properties


Properties
BP:
75-76 °C10 mm Hg(lit.)
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.417(lit.)
Computed Properties
Molecular Weight:
99.089g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
99.032g/mol
Monoisotopic Mass:
99.032g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
110
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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