4-Methoxy-1H-indole-3-carboxylic acid

Base Information

• Chemical Name: 4-Methoxy-1H-indole-3-carboxylic acid
• CAS No.: 203937-50-2
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18
• Hs Code.: 2933990090
• European Community (EC) Number: 676-182-6
• DSSTox Substance ID: DTXSID10590801
• Nikkaji Number: J3.121.690G
• Wikidata: Q72490072
• Mol file: 203937-50-2.mol

Synonyms:4-Methoxy-1H-indole-3-carboxylic acid;203937-50-2;4-Methoxyindole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 4-methoxy-;MFCD05664011;4-Methoxy-1H-indole-3-carboxylicacid;1h-indole-3-carboxylic acid,4-methoxy;SCHEMBL7359725;AMY4294;DTXSID10590801;AKOS005258814;AB22197;AC-6603;AS-38026;SY058801;DB-031772;A4438;CS-0061998;4-methoxyindole-3-carboxylic acid, AldrichCPR;Q-101966

Chemical Property of 4-Methoxy-1H-indole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.54E-09mmHg at 25°C
• Refractive Index: 1.677
• Boiling Point: 447.6 °C at 760 mmHg
• PKA: 2.96±0.10(Predicted)
• Flash Point: 224.5 °C
• PSA: 62.32000
• Density: 1.381 g/cm³
• LogP: 1.87470
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxy-1H-indole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C(=CN2)C(=O)O