6，7-Dimethoxyisoindolin-1-one - ≥96% , CAS No.59084-79-6

CAS: 59084-79-6 Cat. No.: D725831 Formule: C₁₀H₁₁NO₃ Poids moléculaire: 193.2 PubChem CID: 11321471

QUALITÉ & PURETÉ ≥96%

Storage

Room temperature

Spécifications

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Pureté

≥96%

Noms et identifiants

Sourires canoniques

COC1=C(C2=C(CNC2=O)C=C1)OC

IUPAC Name

6,7-dimethoxy-2,3-dihydroisoindol-1-one

InChIKey

BOICGDOLOXVQPU-UHFFFAOYSA-N

INCHI

1S/C10H11NO3/c1-13-7-4-3-6-5-11-10(12)8(6)9(7)14-2/h3-4H,5H2,1-2H3,(H,11,12)

Isomères SMILES

COC1=C(C2=C(CNC2=O)C=C1)OC

PubChem CID

11321471

Poids moléculaire

193.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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: 193.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 59084-79-6, the molecular formula is C10H11NO3, and the molecular weight is 193.2 g/mol. InChIKey BOICGDOLOXVQPU-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.