Cas no 916792-63-7 (6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester)

6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester structure
916792-63-7 structure
Product Name:6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester
CAS No:916792-63-7
MF:C13H13NO4
MW:247.246623754501
MDL:MFCD03095266
CID:93224
PubChem ID:44754920
Update Time:2025-04-18

6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • 2-ethyl 6-methyl-2,6dicarboxylate 1H-indole
    • 2-ethyl 6-methyl ester 1H-Indole-2,6-dicarboxylic acid
    • 2-O-ethyl 6-O-methyl 1H-indole-2,6-dicarboxylate
    • INDOLE-2,6-DICARBOXYLIC ACID-2-ETHYL ESTER-6-METHYL ESTER
    • 2-ethyl6-methyl-2,6dicarboxylate1H-indole
    • 916792-63-7
    • MFCD03095266
    • 6-METHOXYCARBONYLINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
    • 2-ethyl 6-methyl 1H-indole-2,6-dicarboxylate
    • 2-Ethyl 6-Methyl-2,6-Dicarboxylate 1H-indole
    • DTXSID90660591
    • 2-ethyl6-methyl1H-indole-2,6-dicarboxylate
    • AKOS015898348
    • AS-32984
    • FT-0730510
    • A847115
    • J-521531
    • Indole-2,6-dicarboxylic acid 2-ethyl ester 6-methyl ester
    • 6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester
    • MDL: MFCD03095266
    • Inchi: 1S/C13H13NO4/c1-3-18-13(16)11-6-8-4-5-9(12(15)17-2)7-10(8)14-11/h4-7,14H,3H2,1-2H3
    • InChI Key: ORMUDDGEORTWGD-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC2C=CC(C(=O)OC)=CC=2N1)=O

Computed Properties

  • Exact Mass: 247.084
  • Monoisotopic Mass: 247.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 331
  • 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: 3
  • Topological Polar Surface Area: 68.4A^2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 409.8±25.0 °C at 760 mmHg
  • Flash Point: 201.7±23.2 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

6-Methoxycarbonylindole-2-Carboxylic Acid Ethyl Ester Security Information

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