Cas no 1033772-29-0 (5-Formyl-1H-indazole-3-carboxylic acid methyl ester)

5-Formyl-1H-indazole-3-carboxylic acid methyl ester structure
1033772-29-0 structure
Product Name:5-Formyl-1H-indazole-3-carboxylic acid methyl ester
CAS No:1033772-29-0
MF:C10H8N2O3
MW:204.18212223053
CID:2130699
PubChem ID:24958745
Update Time:2024-11-04

5-Formyl-1H-indazole-3-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Formyl-1H-indazole-3-carboxylic acid methyl ester
    • Methyl 5-formyl-1H-indazole-3-carboxylate
    • 5-Formyl-1H-indazole-3-Carbocylic acid methyl ester
    • 1H-Indazole-3-carboxylic acid, 5-formyl-, methyl ester
    • DPHPQEMONGPIKA-UHFFFAOYSA-N
    • DB-058987
    • SCHEMBL4436081
    • 1033772-29-0
    • DTXSID90648071
    • F75209
    • Inchi: 1S/C10H8N2O3/c1-15-10(14)9-7-4-6(5-13)2-3-8(7)11-12-9/h2-5H,1H3,(H,11,12)
    • InChI Key: DPHPQEMONGPIKA-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C2C=C(C=O)C=CC=2NN=1)=O

Computed Properties

  • Exact Mass: 204.05349212g/mol
  • Monoisotopic Mass: 204.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 269
  • 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: 72
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 419.4±25.0 °C at 760 mmHg
  • Flash Point: 207.4±23.2 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

5-Formyl-1H-indazole-3-carboxylic acid methyl ester Security Information

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