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Home> Hot Product Listed S   > Spiro[9H-fluorene-9,9'-[9H]xanthene]-3',6'-diol
4081-00-9 structure

Spiro[9H-fluorene-9,9'-[9H]xanthene]-3',6'-diol

Iupac Name:spiro[fluorene-9,9'-xanthene]-3',6'-diol
CAS No.:4081-00-9
Molecular Weight:364.4
Molecular Formula:C25H16O3 (isomer)
Names and Identifiers
Synonyms

AC1MJ5FI AKOS000578976 BAS 00433016 CTK1D4264 DTXSID30389294 MOLPORT-001-932-454 PL056183 S0953 SCHEMBL8984634 spiro[9h-xanthene-9,9'-[9h]fluorene]-3,6-diol spiro[fluorene-9,9'-xanthene]-3',6'-diol ZINC4713071

Inchi
InChI=1S/C25H16O3/c26-15-9-11-21-23(13-15)28-24-14-16(27)10-12-22(24)25(21)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,26-27H
InChkey
ZTQUBBFVYUHQRC-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O
Properties
Density
1.47±0.1 g/cm3 (20 ºC 760 Torr)
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:364.4g/mol
  • Molecular Formula:C25H16O3
  • Compound Is Canonicalized:True
  • Exact Mass:364.11
  • Monoisotopic Mass:364.11
  • Complexity:540
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAA0YMGCAAAAAGCRVAAAGgAACAAADgSAmAAwBoAABgCA AiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwPoAAACAAYAABAAAAQADAAAQAACAAA AA==
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