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Home > Other Heterocycles > 71155-04-9
71155-04-9 | (1S,5R)-Bicyclo[3.2.0]hept-2-en-6-one
CAS No: 71155-04-9 Catalog No: AG005X61 MDL No:MFCD07370112
Product Description
Catalog Number:
AG005X61
Chemical Name:
(1S,5R)-Bicyclo[3.2.0]hept-2-en-6-one
CAS Number:
71155-04-9
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
MDL Number:
MFCD07370112
IUPAC Name:
(1S,5R)-bicyclo[3.2.0]hept-2-en-6-one
InChI:
InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChI Key:
LNLLHUHPGPKRBM-PHDIDXHHSA-N
SMILES:
O=C1C[C@@H]2[C@H]1CC=C2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Preparative scale Baeyer-Villiger biooxidation at high concentration using recombinant Escherichia coli and in situ substrate feeding and product removal process. | Nature protocols 20080101 |
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