Cas no 865886-81-3 (1H-Indazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester)

1H-Indazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester structure
865886-81-3 structure
Product Name:1H-Indazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester
CAS No:865886-81-3
MF:C12H14N2O3
MW:234.251163005829
CID:1853259
PubChem ID:76852911
Update Time:2025-04-21

1H-Indazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole-3-carboxylic acid, 5-methoxy-1-methyl-, ethyl ester
    • ethyl 5-methoxy-1-methyl-1H-indazole-3-carboxylate
    • DB-430356
    • 1h-indazole-3-carboxylic acid,5-methoxy-1-methyl-,ethyl ester
    • 865886-81-3
    • Inchi: 1S/C12H14N2O3/c1-4-17-12(15)11-9-7-8(16-3)5-6-10(9)14(2)13-11/h5-7H,4H2,1-3H3
    • InChI Key: NLZZPYIJFXKTSV-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2=C(C=1)C(C(=O)OCC)=NN2C

Computed Properties

  • Exact Mass: 234.10044231Da
  • Monoisotopic Mass: 234.10044231Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 285
  • 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: 2.1
  • Topological Polar Surface Area: 53.4?2
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