2,7-Dimethoxyquinoline-3-carbaldehyde - ≥98% , CAS No.95395-23-6

CAS: 95395-23-6 Cat. No.: D1363087 Formule: C₁₂H₁₁NO₃ Poids moléculaire: 217.23 Numéro CE: 108-330-8 PubChem CID: 3159668

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

COC1=CC2=NC(=C(C=C2C=C1)C=O)OC

IUPAC Name

2,7-dimethoxyquinoline-3-carbaldehyde

InChIKey

PQECIFGEZCZGSO-UHFFFAOYSA-N

INCHI

1S/C12H11NO3/c1-15-10-4-3-8-5-9(7-14)12(16-2)13-11(8)6-10/h3-7H,1-2H3

Isomères SMILES

COC1=CC2=NC(=C(C=C2C=C1)C=O)OC

PubChem CID

3159668

Poids moléculaire

217.23

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: Quinolones and derivatives
• Alternative Parents: Pyridine carboxaldehydes Anisoles Aryl-aldehydes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinolone - Anisole - Phenol ether - 3-pyridine carboxaldehyde - Alkyl aryl ether - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone 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

Propriétés chimiques et physiques

• Poids moléculaire: 217.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.074 Da
• Monoisotopic Mass: 217.074 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% 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 95395-23-6, the molecular formula is C12H11NO3, and the molecular weight is 217.23 g/mol. InChIKey PQECIFGEZCZGSO-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.