Home Carboxys 2-[(Methoxycarbonyl)amino]-1H-benzimidazole-6-carboxylic acid

2-[(Methoxycarbonyl)amino]-1H-benzimidazole-6-carboxylic acid

CAS No.:
65003-40-9
Catalog Number:
AG0038KE
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
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Product Description
Catalog Number:
AG0038KE
Chemical Name:
2-[(Methoxycarbonyl)amino]-1H-benzimidazole-6-carboxylic acid
CAS Number:
65003-40-9
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
MDL Number:
MFCD07371424
IUPAC Name:
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C10H9N3O4/c1-17-10(16)13-9-11-6-3-2-5(8(14)15)4-7(6)12-9/h2-4H,1H3,(H,14,15)(H2,11,12,13,16)
InChI Key:
GIGRDSFULBVHHT-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties