Cas no 90915-17-6 (1-ethyl-1H-1,3-benzodiazole-2-carboxylic acid)

1-ethyl-1H-1,3-benzodiazole-2-carboxylic acid structure
90915-17-6 structure
Product Name:1-ethyl-1H-1,3-benzodiazole-2-carboxylic acid
CAS No:90915-17-6
MF:C10H10N2O2
MW:190.198602199554
MDL:MFCD18453503
CID:798955
PubChem ID:45078217
Update Time:2025-04-19

1-ethyl-1H-1,3-benzodiazole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-2-carboxylicacid, 1-ethyl-
    • 1-ethylbenzimidazole-2-carboxylic acid
    • 2-Benzimidazolecarboxylicacid,1-ethyl-(7CI)
    • 1-ethyl-1H-1,3-benzodiazole-2-carboxylic acid
    • EN300-344411
    • DTXSID00663472
    • 1-ethyl-1h-benzimidazole-2-carboxylic acid
    • AKOS006227840
    • 90915-17-6
    • SCHEMBL3619365
    • MDL: MFCD18453503
    • Inchi: 1S/C10H10N2O2/c1-2-12-8-6-4-3-5-7(8)11-9(12)10(13)14/h3-6H,2H2,1H3,(H,13,14)
    • InChI Key: XLXVZMXZRKPYAG-UHFFFAOYSA-N
    • SMILES: OC(C1=NC2C=CC=CC=2N1CC)=O

Computed Properties

  • Exact Mass: 190.074
  • Monoisotopic Mass: 190.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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
  • Topological Polar Surface Area: 55.1A^2
  • XLogP3: 1.6

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