Cas no 885522-60-1 (6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid)

6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid structure
885522-60-1 structure
Product Name:6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid
CAS No:885522-60-1
MF:C10H8N2O4
MW:220.181522369385
MDL:MFCD07781536
CID:711940
PubChem ID:24728822
Update Time:2024-12-09

6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid
    • 1H-INDAZOLE-3,6-DICARBOXYLIC ACID, 6-METHYL ESTER
    • 6-Methoxycarbonyl-(1H)indazole-3-carboxylic acid
    • 6-Methyl 1H-indazole-3,6-dicarboxylate (ACI)
    • MFCD07781536
    • SY322723
    • 6-methoxycarbonyl-1H-indazole-3-carboxylic acid
    • 1H-Indazole-3,6-dicarboxylic acid,6-methyl ester
    • 885522-60-1
    • DTXSID90646517
    • AKOS016845996
    • BS-17777
    • 6-(Methoxycarbonyl)-1H-indazole-3-carboxylicacid
    • CS-0150785
    • MDL： MFCD07781536
    • Inchi： 1S/C10H8N2O4/c1-16-10(15)5-2-3-6-7(4-5)11-12-8(6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
    • InChI Key： AZTKLZPDTBASOO-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=CC(C(OC)=O)=CC=2)NN=1)O

Computed Properties

  • Exact Mass: 220.04840674g/mol
  • Monoisotopic Mass: 220.04840674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 307
  • 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: 1.3
  • Topological Polar Surface Area: 92.3?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 489.8±25.0 °C at 760 mmHg
  • Flash Point: 250.0±23.2 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

6-(Methoxycarbonyl)-1H-indazole-3-carboxylic acid Security Information

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