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  2. 2288850-51-9
4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid | 2288850-51-9
2288850-51-9

Product name:4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid

CAS No:2288850-51-9
MF:C42H30O8
MW:662.682812213898
CID:6779200
PubChem ID:102246200
Names and Identifiers
  • 4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoicacid
  • 2288850-51-9
  • 4,4',4'',4'''-((1E,1'E,1''E,1'''E)-Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid
  • CS-0170632
  • 4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl))tetrabenzoic acid
  • SCHEMBL16687965
  • 1292817-46-9
  • InChIKey:FVVJCWNMOQWJQK-DCLBUZTQSA-N
  • Inchi:1S/C42H30O8/c43-39(44)31-13-1-27(2-14-31)9-21-35-25-37(23-11-29-5-17-33(18-6-29)41(47)48)38(24-12-30-7-19-34(20-8-30)42(49)50)26-36(35)22-10-28-3-15-32(16-4-28)40(45)46/h1-26H,(H,43,44)(H,45,46)(H,47,48)(H,49,50)/b21-9+,22-10+,23-11+,24-12+
  • SMILES:OC(C1C=CC(=CC=1)/C=C/C1=CC(C=CC2C=CC(C(=O)O)=CC=2)=C(C=CC2C=CC(C(=O)O)=CC=2)C=C1/C=C/C1C=CC(C(=O)O)=CC=1)=O |t:14,27|
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 662.19406791g/mol
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Rotatable Bond Count: 12
  • Monoisotopic Mass: 662.19406791g/mol
  • Heavy Atom Count: 50
  • Complexity: 1070
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 9.1
  • Topological Polar Surface Area: 149Ų
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