Carbonocyanidic acid, methyl ester


Chemical Name: Carbonocyanidic acid, methyl ester
CAS Number: 17640-15-2
Product Number: AG0024NL(AGN-PC-0JKK7M)
Synonyms:
MDL No:
Molecular Formula: C3H3NO2
Molecular Weight: 85.0614

Identification/Properties


Properties
MP:
185-186℃
Storage:
Room Temperature;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
85.062g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
85.016g/mol
Monoisotopic Mass:
85.016g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
98.6
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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