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174727-36-7 | 3-Pyridinepropanoic acid, 2,6-dichloro-β-oxo-, ethyl ester
CAS No: 174727-36-7 Catalog No: AG001ZWX MDL No:MFCD08275023
Product Description
Catalog Number:
AG001ZWX
Chemical Name:
3-Pyridinepropanoic acid, 2,6-dichloro-β-oxo-, ethyl ester
CAS Number:
174727-36-7
Molecular Formula:
C10H9Cl2NO3
Molecular Weight:
262.0894
MDL Number:
MFCD08275023
IUPAC Name:
ethyl 3-(2,6-dichloropyridin-3-yl)-3-oxopropanoate
InChI:
InChI=1S/C10H9Cl2NO3/c1-2-16-9(15)5-7(14)6-3-4-8(11)13-10(6)12/h3-4H,2,5H2,1H3
InChI Key:
WVBZLXLYMRZGOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(nc1Cl)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.086g/mol
Monoisotopic Mass:
260.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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