Home Carboxys Methyl 1-propylbenzoimidazole-6-carboxylate

Methyl 1-propylbenzoimidazole-6-carboxylate

CAS No.:
1199773-30-2
Catalog Number:
AG000PXC
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$138
- +
5g
98%
In Stock USA
United States
$550
- +
Product Description
Catalog Number:
AG000PXC
Chemical Name:
Methyl 1-propylbenzoimidazole-6-carboxylate
CAS Number:
1199773-30-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD13195707
IUPAC Name:
methyl 3-propylbenzimidazole-5-carboxylate
InChI:
InChI=1S/C12H14N2O2/c1-3-6-14-8-13-10-5-4-9(7-11(10)14)12(15)16-2/h4-5,7-8H,3,6H2,1-2H3
InChI Key:
GDXJOKAIOKZAQU-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1cc(cc2)C(=O)OC
Properties
Complexity:
257  
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:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties