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Home > Pyridines > 2059944-51-1
2059944-51-1 | 4-[1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydropyridin-4-yl]benzoic acid
CAS No: 2059944-51-1 Catalog No: AG01BQ5N MDL No:MFCD30501008
Product Description
Catalog Number:
AG01BQ5N
Chemical Name:
4-[1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydropyridin-4-yl]benzoic acid
CAS Number:
2059944-51-1
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD30501008
IUPAC Name:
4-[1-(2-methoxy-2-oxoethyl)-2-oxopyridin-4-yl]benzoic acid
InChI:
InChI=1S/C15H13NO5/c1-21-14(18)9-16-7-6-12(8-13(16)17)10-2-4-11(5-3-10)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChI Key:
BQQFCRRAYHIDKQ-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1ccc(cc1=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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