Cas no 131989-90-7 (Trivalvone)

Trivalvone structure
Trivalvone structure
Product Name:Trivalvone
CAS No:131989-90-7
MF:C36H28N2O4
MW:552.618529319763
CID:2019012
Update Time:2025-04-21

Trivalvone Chemical and Physical Properties

Names and Identifiers

    • Trivalvone
    • Inchi: 1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3
    • InChI Key: WSLMUCJRIGJOSH-UHFFFAOYSA-N
    • SMILES: COC1C(=O)C2C3C(C(=C4C=2C=CC=C4)C2C4C(=CC=CC=4)C4=C5C(=CC(=C4OC)OC)CCN(C)C=25)=NC=CC=3C=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 42
  • XLogP3: 3.956
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