Ethyl 5-hydroxyindole-2-carboxylate - ≥97% , CAS No.24985-85-1

CAS: 24985-85-1 Cat. No.: E133760 Summenformel: C₁₁H₁₁NO₃ Molekulargewicht: 205.21 Beilstein Registry Number: 476925

GRADE & PURITY ≥97%

Synonyms

AC-6610 | DTXSID00179700 | Ethyl 5-hydroxy-1H-indole-2-carboxylate, AldrichCPR | SY258083 | A5086 | H-6350 | BCP13761 | FT-0600658 | 2-carbethoxy-5-hydroxy-indole | AS-37903 | 1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl ester | ETHYL-5-HYDROXYINDOLE-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AC-6610 | DTXSID00179700 | Ethyl 5-hydroxy-1H-indole-2-carboxylate, AldrichCPR | SY258083 | A5086 | H-6350 | BCP13761 | FT-0600658 | 2-carbethoxy-5-hydroxy-indole | AS-37903 | 1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl ester | ETHYL-5-HYDROXYINDOLE-2-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528762017
• Kanonisches Lächeln: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O
• IUPAC Name: ethyl 5-hydroxy-1H-indole-2-carboxylate
• InChIKey: WANAXLMRGYGCPC-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3
• Isomere SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O
• Molekulargewicht: 205.21
• Beilstein: 476925
• Reaxy-Rn: 476925
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=476925&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Hydroxyindoles Indoles Pyrrole carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Hydroxyindole - Indole - Pyrrole-2-carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 150-151°C
• Molekulargewicht: 205.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.074 Da
• Monoisotopic Mass: 205.074 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• 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