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1,4-Dihydro-4-Oxo-3-Pyridinecarboxylicacid
[CAS# 72676-96-1]

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Identification
Name 1,4-Dihydro-4-Oxo-3-Pyridinecarboxylicacid
Synonyms 4-Keto-1H-Pyridine-3-Carboxylic Acid; Mls000085094; Smr000019640
Molecular Structure CAS#: 72676-96-1, 1,4-Dihydro-4-Oxo-3-Pyridinecarboxylicacid
Molecular Formula C6H5NO3
Molecular Weight 139.11
CAS Registry Number 72676-96-1
SMILES O=C1C(=CNC=C1)C(=O)O
InChI 1S/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)
InChIKey CHCUBGPSZDGABM-UHFFFAOYSA-N
Properties
Density 1.486g/cm3 (Cal.)
Boiling point 507.307°C at 760 mmHg (Cal.)
Flash point 260.61°C (Cal.)
References
(1) Annalisa Dean, Maria Grazia Ferlin, Paola Brun, Ignazio Castagliuolo, Robert A. Yokel, Denis Badocco, Paolo Pastore, Alfonso Venzo, G. Giorgio Bombi and Valerio B. Di Marco. 1,6-Dimethyl-4-hydroxy-3-pyridinecarboxylic acid and 4-hydroxy-2-methyl-3-pyridinecarboxylic acid as new possible chelating agents for iron and aluminium, Dalton Trans., 2009, 1815.
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