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128293-68-5 | 1H-Imidazole-2-carboxylic acid, 4-(formylamino)-1-methyl-
CAS No: 128293-68-5 Catalog No: AG000XXK MDL No:
Product Description
Catalog Number:
AG000XXK
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4-(formylamino)-1-methyl-
CAS Number:
128293-68-5
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
4-formamido-1-methylimidazole-2-carboxylic acid
InChI:
InChI=1S/C6H7N3O3/c1-9-2-4(7-3-10)8-5(9)6(11)12/h2-3H,1H3,(H,7,10)(H,11,12)
InChI Key:
OVFKMTVVSGRRCQ-UHFFFAOYSA-N
SMILES:
O=CNc1cn(c(n1)C(=O)O)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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