3-Acetyl-4-hydroxyquinolin-2(1H)-one - ≥95% , CAS No.26138-64-7

CAS: 26138-64-7 Cat. No.: A192385 Formula: C₁₁H₉NO₃ Peso molecolare: 203.19

GRADE & PURITY ≥95%

Synonyms

3-acetyl-4-hydroxyquinolin-2(1H)-one|26138-64-7|3-Acetyl-4-hydroxy-2-quinolone|3-acetyl-4-hydroxy-1H-quinolin-2-one|3-acetyl-2,4-dihydroxyquinoline|2(1H)-Quinolinone, 3-acetyl-4-hydroxy-|3-Acetyl-4-hydroxy-2(1H)-quinolinone|EINECS 247-476-8|3-acetyl-2-hyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-acetyl-4-hydroxyquinolin-2(1H)-one | 26138-64-7 | 3-Acetyl-4-hydroxy-2-quinolone | 3-acetyl-4-hydroxy-1H-quinolin-2-one | 3-acetyl-2,4-dihydroxyquinoline | 2(1H)-Quinolinone, 3-acetyl-4-hydroxy- | 3-Acetyl-4-hydroxy-2(1H)-quinolinone | EINECS 247-476-8 | 3-acetyl-2-hyd

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC(=O)C1=C(C2=CC=CC=C2NC1=O)O

IUPAC Name

3-acetyl-4-hydroxy-1H-quinolin-2-one

InChIKey

UTOJPZBVJLHYGO-UHFFFAOYSA-N

INCHI

1S/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H,1H3,(H2,12,14,15)

Isomeri SMILES

CC(=O)C1=C(C2=CC=CC=C2NC1=O)O

Peso molecolare

203.19

Reaxy-Rn

1620485

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1620485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: Quinolones and derivatives Aryl alkyl ketones Hydroxypyridines Benzenoids Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroxyquinoline - Hydroxyquinoline - Quinolone - Aryl ketone - Aryl alkyl ketone - Hydroxypyridine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
• External Descriptors: Not available

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

• Peso molecolare: 203.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.058 Da
• Monoisotopic Mass: 203.058 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 346.000
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 26138-64-7, the molecular formula is C11H9NO3, and the molecular weight is 203.19 g/mol. InChIKey UTOJPZBVJLHYGO-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.