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3-Hydroxy-1-methylpyridin-4(1H)-one - ≥95%, high purity , CAS No.50700-61-3

COA

Grade & Purity:

≥95%

Cas Number: 50700-61-3
Molecular Weight: 125.13
PubChem CID: 3084936

In stock

Item Number

H708516

Grouped product items
SKU	Size	Availability	Price	Qty
H708516-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$291.90
H708516-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$546.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydroxypyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydroxypyridines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxypyridines
Alternative Parents	Dihydropyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Hydroxypyridine - Dihydropyridine - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-hydroxy-1-methylpyridin-4-one
INCHI	InChI=1S/C6H7NO2/c1-7-3-2-5(8)6(9)4-7/h2-4,9H,1H3
InChIKey	KRBOPJCIZALTNX-UHFFFAOYSA-N
Smiles	CN1C=CC(=O)C(=C1)O
Isomeric SMILES	CN1C=CC(=O)C(=C1)O
Alternate CAS	50700-61-3
PubChem CID	3084936
Molecular Weight	125.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	125.130 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	125.048 Da
Monoisotopic Mass	125.048 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	193.000
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

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