Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5,14-Pentacenedione,1,4-dihydroxy-
516-51-8 structure

5,14-Pentacenedione,1,4-dihydroxy-

Iupac Name:(1S,2R,4aS,4bR,6aS,8S,10aS,10bS,12aS)-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysene-1,8-diol
CAS No.:516-51-8
Molecular Weight:320.517
Molecular Formula:C15H14O6 (isomer)
Names and Identifiers
Synonyms

1,4-dihydroxy-5,14-dihydropentacene-5,14-dione 1,4-Dihydroxy-5,14-pentacenequinone 1,4-dihydroxypentacene-5,14-dione AC1L8T2F DTXSID80330756 NSC 305521 nsc305521 nsc-305521 PL038055

Inchi
InChI=1S/C21H36O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16+,17+,18+,19+,20+,21+/m1/s1
InChkey
HUPSBBUECCCNKS-NHJCDZISSA-N
Canonical Smiles
CC1CCC2C3CCC4CC(CCC4(C3CCC2(C1O)C)C)O
Properties
Density
0.835
Refractive Index
1.528
Flash Point
333.1°C
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:320.517g/mol
  • Molecular Formula:C15H14O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.1
  • Exact Mass:320.272
  • Monoisotopic Mass:320.272
  • Complexity:463
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:9
  • 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: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADAAAAAGgAACAAADxSggAICAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-571-85378921
  • Fax:
 
<