Methyl 2-oxoindoline-4-carboxylate - ≥95% , CAS No.90924-46-2

CAS: 90924-46-2 Cat. No.: M195768 Peso molecular: 191.18

GRADE & PURITY ≥95%

Synonyms

METHYL OXINDOLE-4-CARBOXYLATE | methylphosphorodichloridate | EN300-245973 | SCHEMBL5362141 | METHYL 2-OXO-2,3-DIHYDRO-1H-INDOLE-4-CARBOXYLATE | MFCD08277245 | A843674 | 1H-INDOLE-4-CARBOXYLIC ACID, 2,3-DIHYDRO-2-OXO-, METHYL ESTER | 2,3-Dihydro-2-oxo-1H-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

METHYL OXINDOLE-4-CARBOXYLATE | methylphosphorodichloridate | EN300-245973 | SCHEMBL5362141 | METHYL 2-OXO-2, 3-DIHYDRO-1H-INDOLE-4-CARBOXYLATE | MFCD08277245 | A843674 | 1H-INDOLE-4-CARBOXYLIC ACID, 2, 3-DIHYDRO-2-OXO-, METHYL ESTER | 2, 3-Dihydro-2-oxo-1H-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488199647
• Sonrisas canónicas: COC(=O)C1=C2CC(=O)NC2=CC=C1
• IUPAC Name: methyl 2-oxo-1,3-dihydroindole-4-carboxylate
• InChIKey: FBKDEECWCACPLH-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO3/c1-14-10(13)6-3-2-4-8-7(6)5-9(12)11-8/h2-4H,5H2,1H3,(H,11,12)
• Isómeros SMILES: COC(=O)C1=C2CC(=O)NC2=CC=C1
• Peso molecular: 191.18
• Reaxy-Rn: 395664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=395664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Indolines Benzenoids Methyl esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Dihydroindole - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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