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Home Carboxys 4-Methyl-2-N-propyl-1h-benzimidazole-6-carboxylic acid

4-Methyl-2-N-propyl-1h-benzimidazole-6-carboxylic acid

CAS No.:
152628-03-0
Catalog Number:
AG003LQ9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$20
- +
25g
98%
In Stock USA
United States
$62
- +
100g
98%
In Stock USA
United States
$163
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003LQ9
Chemical Name:
4-Methyl-2-N-propyl-1h-benzimidazole-6-carboxylic acid
CAS Number:
152628-03-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD06656215
IUPAC Name:
7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
XWAJTVCEILFDGU-UHFFFAOYSA-N
SMILES:
CCCc1nc2c([nH]1)cc(cc2C)C(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid. Acta crystallographica. Section E, Structure reports online 20090201
Properties