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Home> Encyclopedia > Hot Product Listed 5   > 5-Azulenemethanol,decahydro-3-hydroxy-a,a,3-trimethyl-8-methylene-,(3R,3aR,5R,8aR)-
77395-10-9 structure

5-Azulenemethanol,decahydro-3-hydroxy-a,a,3-trimethyl-8-methylene-,(3R,3aR,5R,8aR)-

Iupac Name:5-bromo-7-methyl-1H-indole-2,3-dione
CAS No.:77395-10-9
Molecular Weight:240.056
Molecular Formula:C8H16N2O.CLH (isomer)
Names and Identifiers
Synonyms

5-Azulenemethanol,decahydro-3-hydroxy-a,a,3-trimethyl-8-methylene-, [3R-(3a,3aa,5b,8aa)]- Pleocarpenene

Inchi
InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChkey
NPRAKNSGKOICIE-UHFFFAOYSA-N
Canonical Smiles
CC1=C2C(=CC(=C1)Br)C(=O)C(=O)N2
Properties
Density
1.235
Boiling Point
387°C at 760 mmHg
Flash Point
146.3°C
HS Code
2933990090
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:240.056g/mol
  • Molecular Formula:C8H16N2O.CLH
  • Compound Is Canonicalized:True
  • Exact Mass:238.958
  • Monoisotopic Mass:238.958
  • Complexity:266
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:46.2A^2
  • Heavy Atom Count:13
  • 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: AAADcYByMAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgBQAAABrAyBmAAywILAAACI AqVSUACCAAAlAAQAiAGAROgIIDrAlbGEIYhghADIy9cciMCOAAAiEAACAAAAAEQgAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+1-(858)-485-5431
  • Fax:+1-(858)-485-5439
  • Tel:7 495 135 63 43
  • Fax:7 495 137 29 66
  • Tel:302 292 8500
  • Fax:302 292 8520
  • Tel:44 1235 832515
  • Fax:44 1235 832000
  • Tel:
  • Fax:+86 (798) 670-3999
 
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