Home Other Building Blocks 1H-Benzimidazole-1-acetic acid, 5,6-dimethyl-, ethyl ester

1H-Benzimidazole-1-acetic acid, 5,6-dimethyl-, ethyl ester

CAS No.:
199189-67-8
Catalog Number:
AG002BYL
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
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Product Description
Catalog Number:
AG002BYL
Chemical Name:
1H-Benzimidazole-1-acetic acid, 5,6-dimethyl-, ethyl ester
CAS Number:
199189-67-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD00085446
IUPAC Name:
ethyl 2-(5,6-dimethylbenzimidazol-1-yl)acetate
InChI:
InChI=1S/C13H16N2O2/c1-4-17-13(16)7-15-8-14-11-5-9(2)10(3)6-12(11)15/h5-6,8H,4,7H2,1-3H3
InChI Key:
GJXGBVQSRKUYFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc2c1cc(C)c(c2)C
NSC Number:
163294
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties