Home Carboxys 1,3-dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid

1,3-dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid

CAS No.:
17245-63-5
Catalog Number:
AG01BUW9
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG01BUW9
Chemical Name:
1,3-dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
CAS Number:
17245-63-5
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD20441356
IUPAC Name:
1,3-dimethyl-2-oxoimidazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-7-3-4(5(9)10)8(2)6(7)11/h3H,1-2H3,(H,9,10)
InChI Key:
KEJXACDCOMURLL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c(=O)n1C)C
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties