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Home Carboxys 1-Methyl-1H-benzimidazole-2-carboxylic acid

1-Methyl-1H-benzimidazole-2-carboxylic acid

CAS No.:
20572-01-4
Catalog Number:
AG002ABF
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$323
- +
250mg
98%(HPLC)
In Stock USA
United States
$628
- +
1g
98%(HPLC)
In Stock USA
United States
$1393
- +
Product Description
Catalog Number:
AG002ABF
Chemical Name:
1-Methyl-1H-benzimidazole-2-carboxylic acid
CAS Number:
20572-01-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD01836869
IUPAC Name:
1-methylbenzimidazole-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
YHHVGKXAIOVFOH-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c(n1C)cccc2
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:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties