Home Carboxys 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-

1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-

CAS No.:
17245-61-3
Catalog Number:
AG007VVG
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG007VVG
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-
CAS Number:
17245-61-3
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD19228940
IUPAC Name:
3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C5H6N2O3/c1-7-2-3(4(8)9)6-5(7)10/h2H,1H3,(H,6,10)(H,8,9)
InChI Key:
QMLSYUCAVAOMNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c(=O)[nH]1)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties