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128946-78-1 | 1H-Cyclopenta[c]furan-1-one, 3,3a,6,6a-tetrahydro-, (3aS,6aR)-
CAS No: 128946-78-1 Catalog No: AG000YOS MDL No:
Product Description
Catalog Number:
AG000YOS
Chemical Name:
1H-Cyclopenta[c]furan-1-one, 3,3a,6,6a-tetrahydro-, (3aS,6aR)-
CAS Number:
128946-78-1
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
(3aR,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
InChI:
InChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChI Key:
XYRFGFRTVXZAIU-PHDIDXHHSA-N
SMILES:
O=C1OC[C@@H]2[C@H]1CC=C2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Reactor operation and scale-up of whole cell Baeyer-Villiger catalyzed lactone synthesis. | Biotechnology progress 20020101 |
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