Cas no 1251833-96-1 (3-acetyl-1H-Indole-7-carboxaldehyde)

3-acetyl-1H-Indole-7-carboxaldehyde structure
1251833-96-1 structure
Product Name:3-acetyl-1H-Indole-7-carboxaldehyde
CAS No:1251833-96-1
MF:C11H9NO2
MW:187.194662809372
CID:1103150
PubChem ID:59541457
Update Time:2025-04-20

3-acetyl-1H-Indole-7-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-acetyl-1H-Indole-7-carboxaldehyde
    • SCHEMBL3729977
    • 3-acetyl-1H-indole-7-carbaldehyde
    • 1251833-96-1
    • Inchi: 1S/C11H9NO2/c1-7(14)10-5-12-11-8(6-13)3-2-4-9(10)11/h2-6,12H,1H3
    • InChI Key: GHMGONSSQUMIOL-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CNC2C(C=O)=CC=CC=21

Computed Properties

  • Exact Mass: 187.063328530g/mol
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 252
  • 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: 1.2
  • Topological Polar Surface Area: 49.9?2
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