Cas no 113482-94-3 (3,5-Heptanedione,1,7-bis(4-hydroxyphenyl)-)

3,5-Heptanedione,1,7-bis(4-hydroxyphenyl)- structure
113482-94-3 structure
Product Name:3,5-Heptanedione,1,7-bis(4-hydroxyphenyl)-
CAS No:113482-94-3
MF:C19H20O4
MW:312.359705924988
CID:130199
Update Time:2025-04-19

3,5-Heptanedione,1,7-bis(4-hydroxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3,5-Heptanedione,1,7-bis(4-hydroxyphenyl)-
    • 1,7-bis(4-hydroxyphenyl)heptane-3,5-dione
    • letestuianin C
    • TETRAHYDROBISDEMETHOXYDIFERULOYLMETHANE
    • Inchi: 1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2
    • InChI Key: KTRRXJQAOOYSDA-UHFFFAOYSA-N
    • SMILES: OC1C=CC(CCC(CC(CCC2C=CC(O)=CC=2)=O)=O)=CC=1

Computed Properties

  • Exact Mass: 312.1362
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • XLogP3: 1.385

Experimental Properties

  • Density: 1.217
  • Boiling Point: 523.254°C at 760 mmHg
  • Flash Point: 284.333°C
  • Refractive Index: 1.596
  • PSA: 74.6

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