Cas no 1556264-87-9 (2-(5-Methyl-1H-indol-3-yl)acetaldehyde)

2-(5-Methyl-1H-indol-3-yl)acetaldehyde structure
1556264-87-9 structure
Product Name:2-(5-Methyl-1H-indol-3-yl)acetaldehyde
CAS No:1556264-87-9
MF:C11H11NO
MW:173.211142778397
CID:4739495
Update Time:2023-08-16

2-(5-Methyl-1H-indol-3-yl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Methyl-1H-indol-3-yl)acetaldehyde
    • Inchi: 1S/C11H11NO/c1-8-2-3-11-10(6-8)9(4-5-13)7-12-11/h2-3,5-7,12H,4H2,1H3
    • InChI Key: IPEVJPXHGMAEHD-UHFFFAOYSA-N
    • SMILES: O=CCC1=CNC2C=CC(C)=CC1=2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 193
  • XLogP3: 1.8
  • Topological Polar Surface Area: 32.9
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