Home Other Building Blocks 3-(1-Methyl-5-imidazolyl)benzoic acid

3-(1-Methyl-5-imidazolyl)benzoic acid

CAS No.:
1261269-06-0
Catalog Number:
AG000RPX
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95%
In Stock USA
United States
$228
- +
5g
>95%
In Stock USA
United States
$707
- +
Product Description
Catalog Number:
AG000RPX
Chemical Name:
3-(1-Methyl-5-imidazolyl)benzoic acid
CAS Number:
1261269-06-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD18375276
IUPAC Name:
3-(3-methylimidazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-7-12-6-10(13)8-3-2-4-9(5-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
CCTCZHDQSJKDGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cncn1C
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties