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Home > Other Heterocycles > 6705-49-3
6705-49-3 | 7-Oxabicyclo[4.1.0]heptan-2-one
CAS No: 6705-49-3 Catalog No: AG005RB8 MDL No:MFCD00192371
Product Description
Catalog Number:
AG005RB8
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-2-one
CAS Number:
6705-49-3
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00192371
IUPAC Name:
7-oxabicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2
InChI Key:
QKOHEJBTNOEACF-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1O2
EC Number:
229-751-4
NSC Number:
316062
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Olefin isomerization regiochemistries during tandem action of BacA and BacB on prephenate in bacilysin biosynthesis. | Biochemistry 20120417 |
| One-pot organocatalytic domino Michael-aldol and intramolecular SN2 reactions. Asymmetric synthesis of highly functionalized epoxycyclohexanone derivatives. | Journal of the American Chemical Society 20060426 |
| A one-pot isomerization-arylation of 2,3-epoxycyclohexanone under controlled microwave heating. | The Journal of organic chemistry 20050610 |
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