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145126-56-3 | 1H-BenziMidazole-6-carboxylic acid, 2-acetyl-, Methyl ester
CAS No: 145126-56-3 Catalog No: AG001KLO MDL No:
Product Description
Catalog Number:
AG001KLO
Chemical Name:
1H-BenziMidazole-6-carboxylic acid, 2-acetyl-, Methyl ester
CAS Number:
145126-56-3
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl 2-acetyl-3H-benzimidazole-5-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-6(14)10-12-8-4-3-7(11(15)16-2)5-9(8)13-10/h3-5H,1-2H3,(H,12,13)
InChI Key:
WQCXMERRTVXUFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(n2)C(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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