Home Carboxys 1H-Benzimidazole-2-carboxylic acid, 6-amino-, methyl ester

1H-Benzimidazole-2-carboxylic acid, 6-amino-, methyl ester

CAS No.:
292070-01-0
Catalog Number:
AG002XOK
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG002XOK
Chemical Name:
1H-Benzimidazole-2-carboxylic acid, 6-amino-, methyl ester
CAS Number:
292070-01-0
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD07368329
IUPAC Name:
methyl 6-amino-1H-benzimidazole-2-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
KPLHXWFXDADDMP-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c([nH]1)cc(cc2)N
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties