Cas no 154810-58-9 (1H-Indole-3-carboxaldehyde,4,5-dimethoxy-)

1H-Indole-3-carboxaldehyde,4,5-dimethoxy- structure
154810-58-9 structure
Product Name:1H-Indole-3-carboxaldehyde,4,5-dimethoxy-
CAS No:154810-58-9
MF:C11H11NO3
MW:205.209943056107
CID:106732
PubChem ID:11148412
Update Time:2025-04-18

1H-Indole-3-carboxaldehyde,4,5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carboxaldehyde,4,5-dimethoxy-
    • 4,5-DIMETHOXY-1H-INDOLE-3-CARBALDEHYDE
    • 1H-Indole-3-carboxaldehyde,4,5-dimethoxy
    • 4,5-dimethoxyindole-3-carbaldehyde
    • 4,5-Dimethoxyindole-3-carboxaldehyde
    • LTXRTAZYJSKWKT-UHFFFAOYSA-N
    • F70631
    • DTXSID20456909
    • SCHEMBL3230533
    • 154810-58-9
    • Inchi: 1S/C11H11NO3/c1-14-9-4-3-8-10(11(9)15-2)7(6-13)5-12-8/h3-6,12H,1-2H3
    • InChI Key: LTXRTAZYJSKWKT-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC2=C1C(C=O)=CN2)OC

Computed Properties

  • Exact Mass: 205.07400
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 234
  • 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: 1.5
  • Topological Polar Surface Area: 51.3?2

Experimental Properties

  • PSA: 51.32000
  • LogP: 1.99760
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