Home Carboxys 4-(Ethoxycarbonyl)-1h-imidazole-5-carboxylic acid

4-(Ethoxycarbonyl)-1h-imidazole-5-carboxylic acid

CAS No.:
99821-97-3
Catalog Number:
AG00J2JH
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00J2JH
Chemical Name:
4-(Ethoxycarbonyl)-1h-imidazole-5-carboxylic acid
CAS Number:
99821-97-3
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00456068
IUPAC Name:
5-ethoxycarbonyl-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-2-13-7(12)5-4(6(10)11)8-3-9-5/h3H,2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
MHQKPUKRHPFJAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc[nH]c1C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties