Cas no 856765-68-9 (Ethyl trans-Cinnamate-d5)

Ethyl trans-Cinnamate-d5 structure
Ethyl trans-Cinnamate-d5 structure
Product Name:Ethyl trans-Cinnamate-d5
CAS No:856765-68-9
MF:C11H12O2
MW:181.24259185791
MDL:MFCD12022206
CID:1059673
PubChem ID:131701111
Update Time:2025-04-20

Ethyl trans-Cinnamate-d5 Chemical and Physical Properties

Names and Identifiers

    • Ethyl trans-Cinnamate-d5
    • 3-[2H5]phenylacrylic acid ethyl ester
    • Ethyl trans-Cinnamate-[d5]
    • Ethyl trans-cinnamate-d5(phenyl-d5)
    • 856765-68-9
    • Ethyl trans-Cinnamate-d5 (phenyl-d5)
    • D98330
    • ethyl (E)-2,3-dideuterio-3-(2,3,4-trideuteriophenyl)prop-2-enoate
    • MDL: MFCD12022206
    • Inchi: 1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+/i3D,4D,6D,8D,9D
    • InChI Key: KBEBGUQPQBELIU-YSVLDWRHSA-N
    • SMILES: O(C(/C(/[2H])=C(\[2H])/C1C=CC([2H])=C([2H])C=1[2H])=O)CC

Computed Properties

  • Exact Mass: 181.115113351g/mol
  • Monoisotopic Mass: 181.115113351g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 26.3?2

Ethyl trans-Cinnamate-d5 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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