Ethyl 5-hydroxy-1H-indole-2-carboxylate

HCID 90677

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Basic information

CAS: 24985-85-1
Standard SMILES: CCOC(=O)c1cc2cc(O)ccc2[nH]1
InChIKey: WANAXLMRGYGCPC-UHFFFAOYSA-N
Molecular formula: C11H11NO3
Average molar mass: 205.21 g/mol
Monoisotopic mass: 205.07389321

Overview

Ethyl 5-hydroxyindole-2-carboxylate has been reported in Solanum lycopersicum with data available.

Names & identifiers

Preferred name: Ethyl 5-hydroxy-1H-indole-2-carboxylate
IUPAC: ethyl 5-hydroxy-1H-indole-2-carboxylate
English name: Ethyl 5-hydroxyindole-2-carboxylate
Molecular formula: C11H11NO3
Molecular weight: 205.21

Names & synonyms

24985-85-1Ethyl 5-hydroxyindole-2-carboxylateEthyl 5-hydroxy-1H-indole-2-carboxylate5-Hydroxy-1H-indole-2-carboxylic acid ethyl ester1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl esterMFCD000154585-hydroxyindole-2-carboxylic acid ethyl esterEthyl5-hydroxyindole-2-carboxylateEINECS 246-554-92-Carbethoxy-5-hydroxyindoleSCHEMBL8292132-carbethoxy-5-hydroxy-indole

Show more names

5-HO-ICA-OEtEthyl 5-hydroxyindole-2-carboxylate, 98+%5-HYDOXYINDOLE-2-CARBOXYLIC ACID, ETHYL ESTER5-Hydroxy-2-indolecarboxylic acid ethyl ester

DTXSID00179700SBB066622AKOS015843451AC-6610CS-W015378FH30383ethyl 5-hydroxy-1H-2-indolecarboxylateAS-37903

Database identifiers

CAS: 24985-85-1
PubChem CID: 90677
DTXSID: DTXSID00179700
EC Number: 246-554-9
Nikkaji: J267.228F

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 62.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 244

Physicochemical properties

Melting point: 150 · 150-151°C
Boiling point: 410.4 · 410.4±25.0 °C(Predicted)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 9.59 · 9.59±0.40(Predicted)
Appearance: Off-white to yellow Solid
Water Solubility: Insoluble in water.
BRN: 476925 · 476925
CAS DataBase Reference: 24985 · 24985-85-1(CAS DataBase Reference)
NIST Chemistry Reference: 5 · Ethyl 5-hydroxyindole-2-carboxylate(24985-85-1)
Safety Statements: 22 · 22-24/25

Safety & regulation

Safety data

safety_code: 22-24/25

Chemistry & industry

Applications

UsesEthyl 5-hydroxyindole-2-carboxylate is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.