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146091-72-7 | 1H-Imidazole-4-carboxylic acid, 2-amino-5-cyano-1-methyl-, ethyl ester
CAS No: 146091-72-7 Catalog No: AG001DOM MDL No:
Product Description
Catalog Number:
AG001DOM
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2-amino-5-cyano-1-methyl-, ethyl ester
CAS Number:
146091-72-7
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
ethyl 2-amino-5-cyano-1-methylimidazole-4-carboxylate
InChI:
InChI=1S/C8H10N4O2/c1-3-14-7(13)6-5(4-9)12(2)8(10)11-6/h3H2,1-2H3,(H2,10,11)
InChI Key:
CIOMRMJPCYZEKP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(n(c1C#N)C)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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