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Home > Other Heterocycles > 40458-77-3
40458-77-3 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one
CAS No: 40458-77-3 Catalog No: AG0037VC MDL No:MFCD19300741
Product Description
Catalog Number:
AG0037VC
Chemical Name:
8-Oxabicyclo[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
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
Literature
| Title | Journal |
|---|---|
| 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. | Biotechnology letters 20100501 |
| Asymmetric synthesis of the northern half C1-C16 of the bryostatins. | Organic letters 20010322 |
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