Cas no 331245-88-6 (3-(3,4,5-trifluorophenyl)prop-2-enoic acid)

3-(3,4,5-trifluorophenyl)prop-2-enoic acid structure
331245-88-6 structure
Product Name:3-(3,4,5-trifluorophenyl)prop-2-enoic acid
CAS No:331245-88-6
MF:C9H5F3O2
MW:202.130013227463
MDL:MFCD00083529
CID:301742
PubChem ID:5708779
Update Time:2025-04-19

3-(3,4,5-trifluorophenyl)prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-(3,4,5-trifluorophenyl)-, (2E)-
    • TRANS-3,4,5-TRIFLUOROCINNAMIC ACID
    • 3-(3,4,5-trifluorophenyl)prop-2-enoic acid
    • 3,4,5-Trifluorocinnamic acid
    • LS-13573
    • 3,4,5-Trifluorocinnamic acid, 97% (predominantly trans)
    • (2E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid
    • A21716
    • (E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid
    • STR05002
    • 331245-88-6
    • CS-W015521
    • 152152-19-7
    • SCHEMBL584606
    • Z2942853536
    • AC-9775
    • AMY755
    • (E)-3-(3,4,5-trifluorophenyl)acrylic acid
    • PHIWFMZBVZFEQJ-OWOJBTEDSA-N
    • AKOS025310001
    • J-008897
    • EN300-137065
    • 3,4,5-Trifluorociamic acid
    • AKOS005255167
    • W17252
    • EN300-833094
    • MDL: MFCD00083529
    • Inchi: 1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+
    • InChI Key: PHIWFMZBVZFEQJ-OWOJBTEDSA-N
    • SMILES: FC1C(=C(C=C(/C=C/C(=O)O)C=1)F)F

Computed Properties

  • Exact Mass: 202.02416388g/mol
  • Monoisotopic Mass: 202.02416388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 230
  • 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: 2.2
  • Topological Polar Surface Area: 37.3?2

3-(3,4,5-trifluorophenyl)prop-2-enoic acid Pricemore >>

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