3-Hydroxyisonicotinic Acid - CAS 10128-71-9

Catalog:	BB000478
Product Name:	3-Hydroxyisonicotinic Acid
CAS:	10128-71-9
Synonyms:	3-hydroxy-4-pyridinecarboxylic acid; 3-hydroxypyridine-4-carboxylic acid

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Computed Properties

IUPAC Name:	3-hydroxypyridine-4-carboxylic acid
Description:	3-Hydroxyisonicotinic Acid (CAS# 10128-71-9) is used in the preparation of chelating agents for iron and aluminum.
Molecular Weight:	139.11
Molecular Formula:	C6H5NO3
Canonical SMILES:	C1=CN=CC(=C1C(=O)O)O
InChI:	InChI=1S/C6H5NO3/c8-5-3-7-2-1-4(5)6(9)10/h1-3,8H,(H,9,10)
InChI Key:	JEHGATQUCUYHJL-UHFFFAOYSA-N
Boiling Point:	519.3 °C at760 mmHg
Density:	1.485 g/cm³
MDL:	MFCD00234165
LogP:	0.48540

Publication Number	Title	Priority Date
JP-2021153129-A	Polishing composition, its manufacturing method, and polishing method	20200324
US-2021301174-A1	Polishing composition, production method of the same, polishing method and a manufacturing method of a semiconductor substrate	20200324
CN-110938213-A	Preparation method of copper-based microporous metal organic framework material and gas separation application thereof	20191219
CN-110938213-B	Preparation method of copper-based microporous metal organic framework material and gas separation application thereof	20191219
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821

PMID	Publication Date	Title	Journal
18354766	20080407	Evaluation of 2-methyl-3-hydroxy-4-pyridinecarboxylic acid as a possible chelating agent for iron and aluminium	Dalton transactions (Cambridge, England : 2003)
12955732	20030101	Electrospray ionization mass spectrometry in studies of aluminium(III)-ligand solution equilibria	Rapid communications in mass spectrometry : RCM

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.026943022
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.026943022
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6