6-Methoxyquinoxaline-2,3-diol - ≥97% , CAS No.31910-18-6

CAS: 31910-18-6 Cat. No.: D698743 Summenformel: C₉H₈N₂O₃ Molekulargewicht: 192.17 PubChem CID: 698550

GRADE & PURITY ≥97%

Synonyms

6-Methoxy-1,4-dihydroquinoxaline-2,3-dione | 6-Methoxyquinoxaline-2,3-diol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

6-Methoxy-1,4-dihydroquinoxaline-2,3-dione | 6-Methoxyquinoxaline-2,3-diol

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528762531

Kanonisches Lächeln

COC1=CC2=C(C=C1)NC(=O)C(=O)N2

IUPAC Name

6-methoxy-1,4-dihydroquinoxaline-2,3-dione

InChIKey

CHTYMWBYHAIEOF-UHFFFAOYSA-N

INCHI

1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

Isomere SMILES

COC1=CC2=C(C=C1)NC(=O)C(=O)N2

PubChem CID

698550

Molekulargewicht

192.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyrazines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Anisole - Alkyl aryl ether - Pyrazine - Benzenoid - Heteroaromatic compound - Lactam - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 192.170 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.053 Da
• Monoisotopic Mass: 192.053 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 267.000
• 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