5-Hydroxyquinolin-2(1H)-one - ≥97% , CAS No.31570-97-5

CAS: 31570-97-5 Cat. No.: H192683 Fórmula: C₉H₇NO₂ Peso molecular: 161.16 Número CE: 851-185-7

GRADE & PURITY ≥97%

Synonyms

CHEBI:48995 | Z1198306810 | CHEBI:51845 | 5-hydroxyquinolone | 5-oxidanyl-1H-quinolin-2-one | 5-hydroxy-1H-quinolin-2-one | quinoline-2,5-diol | A820913 | CH2=CHCH(OH)CH3 | J-517622 | 5-hydroxyquinolin-2(1H)-one | 5-hydroxy-2-quinolone | SY110039 | EN300-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

CHEBI:48995 | Z1198306810 | CHEBI:51845 | 5-hydroxyquinolone | 5-oxidanyl-1H-quinolin-2-one | 5-hydroxy-1H-quinolin-2-one | quinoline-2,5-diol | A820913 | CH2=CHCH(OH)CH3 | J-517622 | 5-hydroxyquinolin-2(1H)-one | 5-hydroxy-2-quinolone | SY110039 | EN300-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504763809

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763809

Sorrisos canónicos

C1=CC2=C(C=CC(=O)N2)C(=C1)O

IUPAC Name

5-hydroxy-1H-quinolin-2-one

InChIKey

XOXGLLQTNQBDKL-UHFFFAOYSA-N

INCHI

1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)

SMILES isoméricas

C1=CC2=C(C=CC(=O)N2)C(=C1)O

Peso molecular

161.16

Reaxy-Rn

1450346

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1450346&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolones
• Alternative Parents: Hydroxyquinolines Hydroquinolones Hydroquinolines Pyridinones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• External Descriptors: quinolone - monohydroxyquinoline

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

Propriedades químicas e físicas

• Peso molecular: 161.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.048 Da
• Monoisotopic Mass: 161.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 225.000
• 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