Cas no 858233-18-8 (1,7-Dimethyl-1H-indole-2-carboxylic acid)

1,7-Dimethyl-1H-indole-2-carboxylic acid structure
858233-18-8 structure
Product Name:1,7-Dimethyl-1H-indole-2-carboxylic acid
CAS No:858233-18-8
MF:C11H11NO2
MW:189.210542917252
MDL:MFCD11505307
CID:1074088
PubChem ID:25219418
Update Time:2025-04-20

1,7-Dimethyl-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,7-Dimethyl-1H-indole-2-carboxylic acid
    • 1,7-dimethyl-1H-indole-2-carboxylicacid
    • DTXSID80649234
    • AKOS005171411
    • CS-0322309
    • SCHEMBL10233030
    • MFCD11505307
    • LS-01886
    • 1,7-dimethylindole-2-carboxylic acid
    • 858233-18-8
    • ALBB-005035
    • STK501553
    • G69406
    • MDL: MFCD11505307
    • Inchi: 1S/C11H11NO2/c1-7-4-3-5-8-6-9(11(13)14)12(2)10(7)8/h3-6H,1-2H3,(H,13,14)
    • InChI Key: IORFLRMMPCRQJM-UHFFFAOYSA-N
    • SMILES: OC(C1=CC2C=CC=C(C)C=2N1C)=O

Computed Properties

  • Exact Mass: 189.078978594g/mol
  • Monoisotopic Mass: 189.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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: 2.4
  • Topological Polar Surface Area: 42.2?2

1,7-Dimethyl-1H-indole-2-carboxylic acid Security Information

  • HazardClass:IRRITANT

1,7-Dimethyl-1H-indole-2-carboxylic acid Pricemore >>

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