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Home > Imidazoles > 1229627-39-7
1229627-39-7 | 4-(2-Methyl-benzoimidazol-1-yl)-3-oxo-butyric acid methyl ester
CAS No: 1229627-39-7 Catalog No: AG01F5Y7 MDL No:
Product Description
Catalog Number:
AG01F5Y7
Chemical Name:
4-(2-Methyl-benzoimidazol-1-yl)-3-oxo-butyric acid methyl ester
CAS Number:
1229627-39-7
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
methyl 4-(2-methylbenzimidazol-1-yl)-3-oxobutanoate
InChI:
InChI=1S/C13H14N2O3/c1-9-14-11-5-3-4-6-12(11)15(9)8-10(16)7-13(17)18-2/h3-6H,7-8H2,1-2H3
InChI Key:
HZEBLBZWKBJFNC-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Cn1c(C)nc2c1cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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