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6283-81-4 | 3-OXO-3-PYRIDIN-3-YL-PROPIONIC ACID ETHYL ESTER
CAS No: 6283-81-4 Catalog No: AG00EAT6 MDL No:MFCD00160418
Product Description
Catalog Number:
AG00EAT6
Chemical Name:
3-OXO-3-PYRIDIN-3-YL-PROPIONIC ACID ETHYL ESTER
CAS Number:
6283-81-4
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00160418
IUPAC Name:
ethyl 3-oxo-3-pyridin-3-ylpropanoate
InChI:
InChI=1S/C10H11NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3
InChI Key:
APQGYFNHIWMRIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cccnc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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 |
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