5-Metoxioxindol - ≥95% , CAS No.7699-18-5

CAS: 7699-18-5 Cat. No.: M186526 Fórmula: C₉H₉NO₂ Peso molecular: 163.2 Número EC: 811-662-2

GRADE & PURITY ≥95%

Synonyms

DFGZEOUBIHLXFD-UHFFFAOYSA- | 5-methoxy-1,3-dihydro-indol-2-one | 5-methoxy-1,3-dihydroindol-2-one | DTXSID50363834 | InChI=1/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11) | FS-3068 | AM20041146 | SCHEMBL20214 | 5-methoxylindolin-2-one |

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

DFGZEOUBIHLXFD-UHFFFAOYSA- | 5-methoxy-1,3-dihydro-indol-2-one | 5-methoxy-1,3-dihydroindol-2-one | DTXSID50363834 | InChI=1/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11) | FS-3068 | AM20041146 | SCHEMBL20214 | 5-methoxylindolin-2-one |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191900
• Sonrisas canónicas: COC1=CC2=C(C=C1)NC(=O)C2
• IUPAC Name: 5-methoxy-1,3-dihydroindol-2-one
• InChIKey: DFGZEOUBIHLXFD-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
• Isómeros SMILES: COC1=CC2=C(C=C1)NC(=O)C2
• Peso molecular: 163.2
• Reaxy-Rn: 132749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Anisole - Alkyl aryl ether - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 154 °C
• Peso molecular: 163.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 193.000
• 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

Preguntas frecuentes

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 should this product be stored?

Store at room temperature.

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 7699-18-5, the molecular formula is C9H9NO2, and the molecular weight is 163.2 g/mol. InChIKey DFGZEOUBIHLXFD-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.