Name: 2-(6-hydroxypyridin-2-yl)acetic acid - ≥97% , CAS No.937644-25-2
Brand: Aladdin Scientific
SKU: A635230
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinones
Alternative Parents	Dihydropyridines Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridine - Pyridinone - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	153.140 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.043 Da
Monoisotopic Mass	153.043 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	252.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	C1=CC(=O)NC(=C1)CC(=O)O
IUPAC Name	2-(6-oxo-1H-pyridin-2-yl)acetic acid
InChIKey	XYUVVIUAAGZNJS-UHFFFAOYSA-N
INCHI	1S/C7H7NO3/c9-6-3-1-2-5(8-6)4-7(10)11/h1-3H,4H2,(H,8,9)(H,10,11)
Isomeric SMILES	C1=CC(=O)NC(=C1)CC(=O)O
Alternate CAS	937644-25-2
PubChem CID	35767407
Molecular Weight	153.14

2-(6-hydroxypyridin-2-yl)acetic acid - ≥97% , CAS No.937644-25-2

Specifications