Cas no 71815-44-6 (3-Iodo-2-propenoic acid)

3-Iodo-2-propenoic acid structure
3-Iodo-2-propenoic acid structure
Product Name:3-Iodo-2-propenoic acid
CAS No:71815-44-6
MF:C3H3IO2
MW:197.959193468094
CID:2057449
PubChem ID:638126
Update Time:2025-04-21

3-Iodo-2-propenoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-2-propenoic acid
    • E-3-Iodo-2-propenoic acid
    • (E)-3-iodoprop-2-enoic acid
    • propenoic acid, 3-iodo-
    • AKOS006346188
    • 874-280-5
    • AS-57774
    • (2E)-3-IODOPROP-2-ENOIC ACID
    • (E)-3-Iodo-2-propenoic acid
    • 3-Iodoacrylicacid
    • 2-propenoic acid, 3-iodo-, (2E)-
    • b-iodoacrylic acid
    • MFCD09265244
    • NS00133633
    • W15430
    • LMFA01090137
    • IBFDLVHJHUMSAC-OWOJBTEDSA-N
    • (2E)-3-iodoacrylic acid
    • EN300-196281
    • 3-iodo-2E-acrylic acid
    • 3-iodo-2E-propenoic acid
    • (E)-3-IODOACRYLIC ACID
    • CHEBI:165394
    • trans-3-iodoacrylic acid
    • 6372-02-7
    • 3-Iodoacrylic acid
    • 71815-44-6
    • trans-3-iodopropenoic acid
    • EN300-399373
    • Z2327124440
    • (Z)-(3)-Iodoacrylic acid
    • E-2-Propenoic acid, 3-iodo-
    • Inchi: 1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-
    • InChI Key: IBFDLVHJHUMSAC-UPHRSURJSA-N
    • SMILES: OC(/C=C\I)=O

Computed Properties

  • Exact Mass: 197.91778Da
  • Monoisotopic Mass: 197.91778Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 76.9
  • 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: 1
  • Topological Polar Surface Area: 37.3?2
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