3,5,7-Trimethyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 3,5,7-Trimethyl-1H-indole-2-carboxylic acid
• CAS No.: 876715-82-1
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20390197
• Wikidata: Q82186684
• Mol file: 876715-82-1.mol

Synonyms:3,5,7-Trimethyl-1H-indole-2-carboxylic acid;876715-82-1;3,5,7-Trimethyl-1H-indole-2-carboxylicacid;SCHEMBL3110609;DTXSID20390197;BKB71582;MFCD07186365;AKOS000303327;BS-36921;CS-0319281;FT-0735643;SR-01000368705;SR-01000368705-1;3,5,7-Trimethyl-1H-indole-2-carboxylic acid, AldrichCPR

Chemical Property of 3,5,7-Trimethyl-1H-indole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.15E-07mmHg at 25°C
• Boiling Point: 416°C at 760 mmHg
• Flash Point: 205.4°C
• PSA: 53.09000
• Density: 1.245g/cm³
• LogP: 2.79130
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

3,5,7-Trimethyl-1H-indole-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)C(=C(N2)C(=O)O)C)C