5-Carboxy-2-methylpyridine 1-Oxide - CAS 30478-91-2

Catalog:	BB020611
Product Name:	5-Carboxy-2-methylpyridine 1-Oxide
CAS:	30478-91-2
Synonyms:	6-methyl-1-oxido-3-pyridin-1-iumcarboxylic acid; 6-methyl-1-oxidopyridin-1-ium-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methyl-1-oxidopyridin-1-ium-3-carboxylic acid
Description:	5-Carboxy-2-methylpyridine 1-Oxide (CAS# 30478-91-2) is a useful research chemical compound.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	CC1=[N+](C=C(C=C1)C(=O)O)[O-]
InChI:	InChI=1S/C7H7NO3/c1-5-2-3-6(7(9)10)4-8(5)11/h2-4H,1H3,(H,9,10)
InChI Key:	NKUWMQONYMUDFU-UHFFFAOYSA-N
LogP:	1.12170

Publication Number	Title	Priority Date
WO-2011026797-A1	Dye sensitised solar cell	20090904
CA-2481240-A1	Aminocarbonyl substituted pyridines, pyridazines, pyrimidines, pyrazines and triazines having antiangiogenic activity	20020405
EP-1494672-A1	Aminocarbonyl substituted pyridines, pyridazines, pyrimidines, pyrazines and triazines having antiangiogenic activity	20020405
MX-PA04009780-A	PIRIDINES, PIRIDAZINAS, PIRIMIDINAS, PIRAZINAS AND TRIAZINAS, REPLACED BY AMINOCARBONILO THAT HAVE ANTI-ANGIOGENIC ACTIVITY.	20020405
WO-03086398-A1	Aminocarbonyl substituted pyridines, pyridazines, pyrimidines, pyrazines and triazines having antiangiogenic activity	20020405

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2