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Home > Imidazoles > 858646-14-7
858646-14-7 | 3-(1-Methyl-1H-benzoimidazol-5-yl)-3-oxo-propionic acid methyl ester
CAS No: 858646-14-7 Catalog No: AG01EXUF MDL No:
Product Description
Catalog Number:
AG01EXUF
Chemical Name:
3-(1-Methyl-1H-benzoimidazol-5-yl)-3-oxo-propionic acid methyl ester
CAS Number:
858646-14-7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
methyl 3-(1-methylbenzimidazol-5-yl)-3-oxopropanoate
InChI:
InChI=1S/C12H12N2O3/c1-14-7-13-9-5-8(3-4-10(9)14)11(15)6-12(16)17-2/h3-5,7H,6H2,1-2H3
InChI Key:
ACQRVOCXFLALNJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1ccc2c(c1)ncn2C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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