sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 6-Methyl-1h-benzimidazole-2-carboxylic acid

6-Methyl-1h-benzimidazole-2-carboxylic acid

CAS No.:
99459-47-9
Catalog Number:
AG005SBA
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
Product Description
Catalog Number:
AG005SBA
Chemical Name:
6-Methyl-1h-benzimidazole-2-carboxylic acid
CAS Number:
99459-47-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD03368381
IUPAC Name:
6-methyl-1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
ZCDFRCAJGXZHBJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]2)C(=O)O
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  
Literature
Title Journal
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors. Bioorganic & medicinal chemistry letters 20100115
Properties