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1280197-11-6 | 3-Pyridineacetic acid, 6-methoxy-α-oxo-, ethyl ester
CAS No: 1280197-11-6 Catalog No: AG000XPE MDL No:MFCD21603986
Product Description
Catalog Number:
AG000XPE
Chemical Name:
3-Pyridineacetic acid, 6-methoxy-α-oxo-, ethyl ester
CAS Number:
1280197-11-6
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD21603986
IUPAC Name:
ethyl 2-(6-methoxypyridin-3-yl)-2-oxoacetate
InChI:
InChI=1S/C10H11NO4/c1-3-15-10(13)9(12)7-4-5-8(14-2)11-6-7/h4-6H,3H2,1-2H3
InChI Key:
WDEFQWOXBHMLOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc(nc1)OC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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