1,3-dimethyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 1,3-dimethyl-1H-indole-2-carboxylic acid
• CAS No.: 204919-54-0
• Molecular Formula: C11H11 N O2
• Molecular Weight: 189.214
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50500409
• Wikidata: Q82351972
• Mol file: 204919-54-0.mol

Synonyms:1,3-dimethyl-1H-indole-2-carboxylic acid;204919-54-0;1,3-dimethylindole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 1,3-dimethyl-;SCHEMBL1092586;DTXSID50500409;GUAVXCSZSKSTBL-UHFFFAOYSA-N;MFCD10686631;AKOS000321489;1, 3-dimethylindole-2-carboxylic acid;LS-01884;BB 0256609;CS-0328357;FT-0679059

Chemical Property of 1,3-dimethyl-1H-indole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 392.54°C at 760 mmHg
• Flash Point: 191.201°C
• PSA: 42.23000
• Density: 1.211g/cm³
• LogP: 2.18490
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

1,3-dimethyl-1H-indole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C2=CC=CC=C12)C)C(=O)O