Cas no 124459-77-4 (1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester)

1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester structure
124459-77-4 structure
Product Name:1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No:124459-77-4
MF:C12H14N2O2
MW:218.251762866974
CID:1216470
PubChem ID:12417031
Update Time:2025-04-20

1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester
    • tert-butyl 1H-indazole-3-carboxylate
    • 1h-indazole-3-carboxylic acid,1,1-dimethylethyl ester
    • DB-132788
    • BS-19615
    • 2H-Indazole-3-carboxylic acid tert-butyl ester
    • 124459-77-4
    • SCHEMBL5435670
    • DTXSID30497303
    • AKOS017565705
    • MDL: MFCD11976676
    • Inchi: 1S/C12H14N2O2/c1-12(2,3)16-11(15)10-8-6-4-5-7-9(8)13-14-10/h4-7H,1-3H3,(H,13,14)
    • InChI Key: PZCUZCXHRSTAGA-UHFFFAOYSA-N
    • SMILES: O(C(C1C2C=CC=CC=2NN=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 218.10562
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 273
  • 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: 2.7
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98

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