Home Carboxys 1-ethyl-2-hydroxy-1H-imidazole-5-carboxylic acid

1-ethyl-2-hydroxy-1H-imidazole-5-carboxylic acid

CAS No.:
1368842-19-6
Catalog Number:
AG01C5MT
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG01C5MT
Chemical Name:
1-ethyl-2-hydroxy-1H-imidazole-5-carboxylic acid
CAS Number:
1368842-19-6
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD21909756
IUPAC Name:
3-ethyl-2-oxo-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-2-8-4(5(9)10)3-7-6(8)11/h3H,2H2,1H3,(H,7,11)(H,9,10)
InChI Key:
GCWOUJFGFKGGSZ-UHFFFAOYSA-N
SMILES:
CCn1c(O)ncc1C(=O)O
Properties
Complexity:
234  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties