Cas no 672957-92-5 (1-methyl-1H-1,3-benzodiazole-4-carboxylic acid)

1-methyl-1H-1,3-benzodiazole-4-carboxylic acid structure
672957-92-5 structure
Product Name:1-methyl-1H-1,3-benzodiazole-4-carboxylic acid
CAS No:672957-92-5
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD09751736
CID:839108
PubChem ID:45077822
Update Time:2025-04-19

1-methyl-1H-1,3-benzodiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4-benzimidazolecarboxylic Acid
    • 1H-Benzimidazole-4-carboxylicacid,1-methyl-
    • 1H-Benzimidazole-4-carboxylicacid,1-methyl-(9CI)
    • 1-methyl-1H-Benzimidazole-4-carboxylic acid
    • 1H-Benzimidazole-4-carboxylic acid, 1-methyl-
    • 1-methyl-1H-1,3-benzodiazole-4-carboxylic acid
    • 5146AJ
    • 1-Methyl-4-benzimidazolecarboxylicAcid
    • TRA0050710
    • 1-methylbenzimidazole-4-carboxylic acid
    • SY022483
    • BC628655
    • 1-methyl-1H-benzo[d]imidazole
    • XBB95792
    • MFCD09751736
    • 672957-92-5
    • EN300-200358
    • A867299
    • 1-methyl-1H-benzo[d]imidazole-4-carboxylic acid
    • AKOS006328804
    • AS-47032
    • Z1198223126
    • SCHEMBL15808993
    • FT-0743453
    • F11604
    • CS-0210874
    • DB-023438
    • MDL: MFCD09751736
    • Inchi: 1S/C9H8N2O2/c1-11-5-10-8-6(9(12)13)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)
    • InChI Key: KANGLPGGTDOWJO-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2=C1N=CN2C)=O

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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: 55.1
  • XLogP3: 1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.35
  • Melting Point: No data available
  • Boiling Point: 268.8±30.0 °C at 760 mmHg
  • Flash Point: 114.3±24.6 °C
  • PSA: 55.12000
  • LogP: 1.27150
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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