Home Nitriles 5-formyl-1-methyl-1H-imidazole-2-carbonitrile

5-formyl-1-methyl-1H-imidazole-2-carbonitrile

CAS No.:
944900-78-1
Catalog Number:
AG01C82T
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
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Product Description
Catalog Number:
AG01C82T
Chemical Name:
5-formyl-1-methyl-1H-imidazole-2-carbonitrile
CAS Number:
944900-78-1
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD10696281
IUPAC Name:
5-formyl-1-methylimidazole-2-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-9-5(4-10)3-8-6(9)2-7/h3-4H,1H3
InChI Key:
MJSCHMRRKXGSPD-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(n1C)C#N
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties