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Home > Pyridines > 1229626-75-8
1229626-75-8 | 3-(2-Ethoxy-pyridin-3-yl)-3-oxo-propionic acid methyl ester
CAS No: 1229626-75-8 Catalog No: AG01F6T5 MDL No:
Product Description
Catalog Number:
AG01F6T5
Chemical Name:
3-(2-Ethoxy-pyridin-3-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1229626-75-8
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
methyl 3-(2-ethoxypyridin-3-yl)-3-oxopropanoate
InChI:
InChI=1S/C11H13NO4/c1-3-16-11-8(5-4-6-12-11)9(13)7-10(14)15-2/h4-6H,3,7H2,1-2H3
InChI Key:
MGUSALHWDNIFJP-UHFFFAOYSA-N
SMILES:
CCOc1ncccc1C(=O)CC(=O)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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