Cas no 865886-99-3 (1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester)

1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester structure
865886-99-3 structure
Product Name:1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester
CAS No:865886-99-3
MF:C13H14N2O3
MW:246.261863231659
CID:1853134
PubChem ID:44558850
Update Time:2025-04-21

1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-3-carboxylic acid, 5-formyl-, 1,1-dimethylethyl ester
    • tert-butyl 5-forMyl-1H-indazole-3-carboxylate
    • DB-433601
    • 1h-indazole-3-carboxylic acid,5-formyl-,1,1-dimethylethyl ester
    • 865886-99-3
    • AKOS015919033
    • SCHEMBL1963000
    • Inchi: 1S/C13H14N2O3/c1-13(2,3)18-12(17)11-9-6-8(7-16)4-5-10(9)14-15-11/h4-7H,1-3H3,(H,14,15)
    • InChI Key: YHQHECZJCLVHQQ-UHFFFAOYSA-N
    • SMILES: O(C(C1C2C=C(C=O)C=CC=2NN=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 246.10044231Da
  • Monoisotopic Mass: 246.10044231Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 338
  • 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: 2.2
  • Topological Polar Surface Area: 72.1?2
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