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Home Other Building Blocks Carbonocyanidic acid, methyl ester

Carbonocyanidic acid, methyl ester

CAS No.:
17640-15-2
Catalog Number:
AG0024NL
Molecular Formula:
C3H3NO2
Molecular Weight:
85.0614
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Product Description
Catalog Number:
AG0024NL
Chemical Name:
Carbonocyanidic acid, methyl ester
CAS Number:
17640-15-2
Molecular Formula:
C3H3NO2
Molecular Weight:
85.0614
MDL Number:
MFCD00013420
IUPAC Name:
methyl cyanoformate
InChI:
InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3
InChI Key:
OBWFJXLKRAFEDI-UHFFFAOYSA-N
SMILES:
COC(=O)C#N
EC Number:
241-626-6
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.016g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
85.062g/mol
Monoisotopic Mass:
85.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis of β- and γ-carbolines via ruthenium and rhodium catalysed [2+2+2] cycloadditions of yne-ynamides with methylcyanoformate. Chemical communications (Cambridge, England) 20110621
Enantioselective synthesis of S-(+)-2beta-carboalkoxy-3alpha-[bis(4-fluorophenyl)methoxy]tropanes as novel probes for the dopamine transporter. Bioorganic & medicinal chemistry letters 20020506
Properties