Cas no 505-53-3 (2,4,6,8,10,12-Tetradecahexaenedioicacid, (2E,4E,6E,8E,10E,12E)-)

2,4,6,8,10,12-Tetradecahexaenedioicacid, (2E,4E,6E,8E,10E,12E)- structure
505-53-3 structure
Product Name:2,4,6,8,10,12-Tetradecahexaenedioicacid, (2E,4E,6E,8E,10E,12E)-
CAS No:505-53-3
MF:C14H14O4
MW:246.258564472198
CID:383491
PubChem ID:12304001
Update Time:2025-04-19

2,4,6,8,10,12-Tetradecahexaenedioicacid, (2E,4E,6E,8E,10E,12E)- Chemical and Physical Properties

Names and Identifiers

    • 2,4,6,8,10,12-Tetradecahexaenedioicacid, (2E,4E,6E,8E,10E,12E)-
    • (2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Tetradecahexene-1,14-dioic acid
    • tetradeca-2,4,6,8,10,12-hexaenedioic acid
    • 2,4,6,8,10,12-Tetradecahexaenedioicacid, (all-E)- (8CI)
    • Corticrocin
    • 2,4,6,8,10,12-Tetradecahexaenedioic acid, (2E,4E,6E,8E,10E,12E)-
    • UNII-VBK1TSG361
    • CHEBI:174273
    • LMFA01031041
    • 2E,4E,6E,8E,10E,12E-tetradecahexaenedioic acid
    • 2,4,6,8,10,12-Tetradecahexaenedioic acid, (all-E)-
    • VBK1TSG361
    • (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedioic acid
    • (2E,4E,6E,8E,10E,12E)-2,4,6,8,10,12-Tetradecahexaenedioic acid
    • Q27896461
    • 505-53-3
    • Inchi： 1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
    • InChI Key： PXPBPRNNNVMUEY-CZBFJCMTSA-N
    • SMILES： OC(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O)=O

Computed Properties

  • Exact Mass: 246.08922
  • Monoisotopic Mass: 246.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 393
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6

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