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146091-59-0 | 1H-Imidazole-5-carboxylic acid, 2-amino-4-cyano-1-methyl-
CAS No: 146091-59-0 Catalog No: AG001DOO MDL No:MFCD18808757
Product Description
Catalog Number:
AG001DOO
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-amino-4-cyano-1-methyl-
CAS Number:
146091-59-0
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD18808757
IUPAC Name:
2-amino-5-cyano-3-methylimidazole-4-carboxylic acid
InChI:
InChI=1S/C6H6N4O2/c1-10-4(5(11)12)3(2-7)9-6(10)8/h1H3,(H2,8,9)(H,11,12)
InChI Key:
LVJUVMHLLXQAAP-UHFFFAOYSA-N
SMILES:
N#Cc1nc(n(c1C(=O)O)C)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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