Home Carboxys 1H-Benzimidazole-7-carboxylic acid, 2-methyl-

1H-Benzimidazole-7-carboxylic acid, 2-methyl-

CAS No.:
188106-94-7
Catalog Number:
AG002GOH
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG002GOH
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-methyl-
CAS Number:
188106-94-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD19160701
IUPAC Name:
2-methyl-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-10-7-4-2-3-6(9(12)13)8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
LVUZVFVJPPDROZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[nH]c(n2)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties