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Home> Encyclopedia > Hot Product Listed 5   > 5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one,11-hydroxy-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-9-methyl...
833-48-7 structure

5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one,11-hydroxy-3-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxy-9-methyl-

Iupac Name:6,11-dihydro-5H-dibenzo[2,1-b:2',1'-f][7]annulene
CAS No.:833-48-7
Molecular Weight:194.277
Molecular Formula:C22H36O5 (isomer)
Names and Identifiers
Synonyms

5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one,11-hydroxy-3-(1-hydroxy-3-methylbutyl)-4-methoxy-9-methyl-, (S)- ACON0_000965 ACON1_001043 BRD-A46837972-001-01-0 CHEMBL1482850 HMS2271J09 L008625 MCULE-8917076353 MEGXM0_000100 MLS000876835 MOLPORT-001-739-326 NP-001436 Penicillide smr000440585 Vermixocin A

Inchi
InChI=1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
InChkey
PJQCANLCUDUPRF-UHFFFAOYSA-N
Canonical Smiles
C1CC2=CC=CC=C2CC3=CC=CC=C31
Properties
Density
1.17
Melting Point
74-76 °C(lit.)
Refractive Index
1.601
Flash Point
149.1°C
Safety and Handling
Safety Statements
S24/25
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:194.277g/mol
  • Molecular Formula:C22H36O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.5
  • Exact Mass:194.11
  • Monoisotopic Mass:194.11
  • Complexity:186
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:15
  • 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: AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABgAAAAABQAAAGAAAAAAADACAGAAwAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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  • Tel:+32-(14)-57 52 11
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  • Fax:+81 3 3667 8277
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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