Cas no 88878-33-5 (1,3,5-Benzenetriol, 2-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-)

1,3,5-Benzenetriol, 2-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]- structure
88878-33-5 structure
Product Name:1,3,5-Benzenetriol, 2-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-
CAS No:88878-33-5
MF:C18H14N4O4
MW:350.32816362381
CID:620317
PubChem ID:136235938
Update Time:2025-04-19

1,3,5-Benzenetriol, 2-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Benzenetriol, 2-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-
    • 3,5-dihydroxy-4-[[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
    • 88878-33-5
    • DTXSID10750403
    • 3,5-Dihydroxy-4-(2-{4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl}hydrazinylidene)cyclohexa-2,5-dien-1-one
    • Inchi: 1S/C18H14N4O4/c23-14-7-5-13(6-8-14)20-19-11-1-3-12(4-2-11)21-22-18-16(25)9-15(24)10-17(18)26/h1-10,23-26H/b20-19+,22-21+
    • InChI Key: GASYBGAOJPZBCW-DKHHWMATSA-N
    • SMILES: OC1C=C(C=C(C=1/N=N/C1C=CC(=CC=1)/N=N/C1C=CC(=CC=1)O)O)O

Computed Properties

  • Exact Mass: 350.10150494g/mol
  • Monoisotopic Mass: 350.10150494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 476
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 130?2
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