Methyl 2-oxoindoline-7-carboxylate - ≥97% , CAS No.380427-39-4

CAS: 380427-39-4 Cat. No.: M176331 Peso molecular: 191.186 Número EC: 689-084-3

GRADE & PURITY ≥97%

Synonyms

Q-102623 | SCHEMBL1639672 | AKOS006229412 | MFCD02179610 | A857876 | 1H-Indole-7-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester | RB3265 | Methyl 2-oxoindoline-7-carboxylate | METHYL OXINDOLE-7-CARBOXYLATE | AC-27819 | DTXSID80378517 | PB19984 | SY0130

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Q-102623 | SCHEMBL1639672 | AKOS006229412 | MFCD02179610 | A857876 | 1H-Indole-7-carboxylic acid, 2, 3-dihydro-2-oxo-, methyl ester | RB3265 | Methyl 2-oxoindoline-7-carboxylate | METHYL OXINDOLE-7-CARBOXYLATE | AC-27819 | DTXSID80378517 | PB19984 | SY0130

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193510
• Sonrisas canónicas: COC(=O)C1=CC=CC2=C1NC(=O)C2
• IUPAC Name: methyl 2-oxo-1,3-dihydroindole-7-carboxylate
• InChIKey: XVJRNLIMSQFUAI-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-8(12)11-9(6)7/h2-4H,5H2,1H3,(H,11,12)
• Isómeros SMILES: COC(=O)C1=CC=CC2=C1NC(=O)C2
• Peso molecular: 191.186
• Reaxy-Rn: 15864880
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15864880&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: Benzenoids Vinylogous amides Methyl esters Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Methyl ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

• Peso molecular: 191.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058 Da
• Monoisotopic Mass: 191.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 264.000
• 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