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146091-78-3 | 1H-Imidazole-4-carboxylic acid, 5-cyano-1-methyl-
CAS No: 146091-78-3 Catalog No: AG001DOI MDL No:
Product Description
Catalog Number:
AG001DOI
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-cyano-1-methyl-
CAS Number:
146091-78-3
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
IUPAC Name:
5-cyano-1-methylimidazole-4-carboxylic acid
InChI:
InChI=1S/C6H5N3O2/c1-9-3-8-5(6(10)11)4(9)2-7/h3H,1H3,(H,10,11)
InChI Key:
QBXSNXSCEPSWEN-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)cnc1C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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