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Home Other Building Blocks ethyl 3-(1-methyl-1H-imidazol-2-yl)-3-oxopropanoate

ethyl 3-(1-methyl-1H-imidazol-2-yl)-3-oxopropanoate

CAS No.:
1229426-30-5
Catalog Number:
AG01B1S3
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG01B1S3
Chemical Name:
ethyl 3-(1-methyl-1H-imidazol-2-yl)-3-oxopropanoate
CAS Number:
1229426-30-5
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD24147690
IUPAC Name:
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
InChI:
InChI=1S/C9H12N2O3/c1-3-14-8(13)6-7(12)9-10-4-5-11(9)2/h4-5H,3,6H2,1-2H3
InChI Key:
ZMMLBTOFERWSQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1nccn1C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Simple, fast and efficient synthesis of β-keto esters from the esters of heteroaryl compounds, its antimicrobial study and cytotoxicity towards various cancer cell lines. Bioorganic & medicinal chemistry letters 20120615
Properties