Cas no 1027991-36-1 (methyl 1-acetyl-1H-indazole-4-carboxylate)

methyl 1-acetyl-1H-indazole-4-carboxylate structure
1027991-36-1 structure
Product Name:methyl 1-acetyl-1H-indazole-4-carboxylate
CAS No:1027991-36-1
MF:C11H10N2O3
MW:218.20870256424
CID:1096786
PubChem ID:10488993
Update Time:2025-04-20

methyl 1-acetyl-1H-indazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 1-acetyl-1H-indazole-4-carboxylate
    • 1027991-36-1
    • Methyl 1-acetylindazole-4-carboxylate
    • 1H-Indazole-4-carboxylicacid,1-acetyl-,methylester
    • F18721
    • 1H-Indazole-4-carboxylic acid, 1-acetyl-, methyl ester
    • Inchi: 1S/C11H10N2O3/c1-7(14)13-10-5-3-4-8(11(15)16-2)9(10)6-12-13/h3-6H,1-2H3
    • InChI Key: MMKDEAKAESYKJO-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CC2=C1C=NN2C(C)=O)=O

Computed Properties

  • Exact Mass: 218.069142g/mol
  • Monoisotopic Mass: 218.069142g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 306
  • 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
  • Molecular Weight: 218.21g/mol
  • XLogP3: 1.3
  • Topological Polar Surface Area: 61.2?2

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