4-Pyridoxolactone - ≥98.5% , CAS No.4753-19-9

CAS: 4753-19-9 Cat. No.: P465407 Formula: C₈H₇NO₃ Peso molecolare: 165.15 Beilstein Registry Number: 140752 Numero EC: 809-342-2 PubChem CID: 151228

GRADE & PURITY ≥98.5%

Synonyms

Furo[3,4-c]pyridin-1(3H)-one, 7-hydroxy-6-methyl- | Q27102121 | 7-HYDROXY-6-METHYLFURO(3,4-C)PYRIDIN-1(3H)-ONE | .beta.-Pyracin | DTXSID60197187 | 4PL | 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one | .beta.-Pyracine | HHPDVQLBYQFYFA-UHFFFAOYSA-N | Furo[

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

Furo[3,4-c]pyridin-1(3H)-one, 7-hydroxy-6-methyl- | Q27102121 | 7-HYDROXY-6-METHYLFURO(3,4-C)PYRIDIN-1(3H)-ONE | .beta.-Pyracin | DTXSID60197187 | 4PL | 7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one | .beta.-Pyracine | HHPDVQLBYQFYFA-UHFFFAOYSA-N | Furo[

Specifiche e purezza

≥98.5%

Meccanismi biochimici e fisiologici

4-Pyridoxolactone is a bacterial oxidation metabolite of vitamin B6.

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98.5%

Nomi e identificatori

Pubchem Sid

504757354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757354

Sorrisi canonici

CC1=NC=C2COC(=O)C2=C1O

IUPAC Name

7-hydroxy-6-methyl-3H-furo[3,4-c]pyridin-1-one

InChIKey

HHPDVQLBYQFYFA-UHFFFAOYSA-N

INCHI

1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3

Isomeri SMILES

CC1=NC=C2COC(=O)C2=C1O

PubChem CID

151228

Peso molecolare

165.15

Beilstein

140752

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methylpyridines Hydroxypyridines Vinylogous acids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Hydroxypyridine - Vinylogous acid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: a small molecule

Data sources

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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 165.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 165.043 Da
• Monoisotopic Mass: 165.043 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 206.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4753-19-9, the molecular formula is C8H7NO3, and the molecular weight is 165.15 g/mol. InChIKey HHPDVQLBYQFYFA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.