Cas no 1227267-27-7 (2,6-Dimethyl-1H-indole-3-carboxylic acid)

2,6-Dimethyl-1H-indole-3-carboxylic acid structure
1227267-27-7 structure
Product Name:2,6-Dimethyl-1H-indole-3-carboxylic acid
CAS No:1227267-27-7
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD16875909
CID:822616
PubChem ID:56924177
Update Time:2025-04-19

2,6-Dimethyl-1H-indole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dimethyl-1H-indole-3-carboxylic acid
    • SB15193
    • DB-355338
    • PS-16876
    • CS-0309656
    • 1H-Indole-3-carboxylic acid, 2,6-dimethyl-
    • D79103
    • J-507500
    • DTXSID30718803
    • 1227267-27-7
    • 2,6-Dimethyl-1h-indole-3-carboxylicacid
    • AKOS015994979
    • MDL: MFCD16875909
    • Inchi: 1S/C11H11NO2/c1-6-3-4-8-9(5-6)12-7(2)10(8)11(13)14/h3-5,12H,1-2H3,(H,13,14)
    • InChI Key: RINOZWROKFEBLM-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)NC2C=C(C)C=CC=21)=O

Computed Properties

  • Exact Mass: 189.078978594g/mol
  • Monoisotopic Mass: 189.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 53.1?2

Experimental Properties

  • Density: 1.287
  • Boiling Point: 407.7±40.0 °C at 760 mmHg
  • Flash Point: 200.4±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2,6-Dimethyl-1H-indole-3-carboxylic acid Security Information

2,6-Dimethyl-1H-indole-3-carboxylic acid Pricemore >>

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