Home Other Heterocycles 40458-77-3
40458-77-3,MFCD19300741
Catalog No.:AA0037SK
40458-77-3 | 8-Oxa-bicyclo[3.2.1]oct-6-en-3-one
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250mg
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$364.00   $255.00
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1g
97%
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$520.00   $364.00
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5g
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$1,443.00   $1,010.00
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10g
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$2,367.00   $1,657.00
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25g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0037SK
Chemical Name:
8-Oxa-bicyclo[3.2.1]oct-6-en-3-one
CAS Number:
40458-77-3
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
MDL Number:
MFCD19300741
IUPAC Name:
8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C7H8O2/c8-5-3-6-1-2-7(4-5)9-6/h1-2,6-7H,3-4H2
InChI Key:
DJXYBPVHUSVRLJ-UHFFFAOYSA-N
SMILES:
O=C1CC2C=CC(C1)O2
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
8-Oxabicyclo[3.2.1]oct-6-en-3-one 
40458-77-3 
AKOS022504456 
FCH1127382 
SB22078 
3-Oxo-8-oxabicyclo[3.2.1]oct-6-ene 
AK171978 
AS-51410 
CS-0049938 
A825116 
CID557672 
8-oxa-bicyclo[3.2.1]oct-6-en-3-one 
DJXYBPVHUSVRLJ-UHFFFAOYSA-N 
AC1LBGQE 
SCHEMBL1565415 
CTK1D4544 
DTXSID90339659 
KS-000008SS 
MFCD19300741 
Literature

Title: Encapsulation of recombinant E. coli expressing cyclopentanone monooxygenase in polyelectrolyte complex capsules for Baeyer-Villiger biooxidation of 8-oxabicyclo[3.2.1]oct-6-en-3-one.

Journal: Biotechnology letters 20100501

Title: Asymmetric synthesis of the northern half C1-C16 of the bryostatins.

Journal: Organic letters 20010322

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