Cas no 85216-84-8 ( )

  structure
  structure
Product Name: 
CAS No:85216-84-8
MF:C22H22O6
MW:382.406486988068
CID:990194
PubChem ID:1550223
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
    • NSC-26463
    • DTXSID40364330
    • NSC26463
    • 85216-84-8
    •  
    • Inchi： 1S/C22H22O6/c1-25-19-9-3-17(4-10-19)7-13-21(23)27-15-16-28-22(24)14-8-18-5-11-20(26-2)12-6-18/h3-14H,15-16H2,1-2H3/b13-7-,14-8+
    • InChI Key： IMOSGDDWXALCOH-MFUUIURDSA-N
    • SMILES： O(C(/C=C\C1C=CC(=CC=1)OC)=O)CCOC(/C=C/C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 382.142
  • Monoisotopic Mass: 382.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 11
  • Complexity: 477
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 71.1?2

Experimental Properties

  • PSA: 71.06000
  • LogP: 3.51680

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