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87326-30-5 | 1H-Imidazole-4-carboxamide, 2-methyl-
CAS No: 87326-30-5 Catalog No: AG004HOH MDL No:MFCD18906633
Product Description
Catalog Number:
AG004HOH
Chemical Name:
1H-Imidazole-4-carboxamide, 2-methyl-
CAS Number:
87326-30-5
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD18906633
IUPAC Name:
2-methyl-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C5H7N3O/c1-3-7-2-4(8-3)5(6)9/h2H,1H3,(H2,6,9)(H,7,8)
InChI Key:
NIROLOZHKYDXJK-UHFFFAOYSA-N
SMILES:
Cc1nc(c[nH]1)C(=O)N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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