| CAS Number | 40458-77-3 |
| Catalog Number | AG0037VC(AGN-PC-0JSURP) |
| Chemical Name | 8-Oxabicyclo[3.2.1]Oct-6-En-3-One |
| 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 |
| MDL Number | MFCD19300741 |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| SMILES | O=C1CC2C=CC(C1)O2 |
| Synonyms | 8-Oxabicyclo[3.2.1]oct-6-en-3-one,
40458-77-3,
8-oxa-bicyclo[3.2.1]oct-6-en-3-one,
DJXYBPVHUSVRLJ-UHFFFAOYSA-N,
AC1LBGQE,
SCHEMBL1565415,
CTK1D4544,
DTXSID90339659,
KS-000008SS,
MFCD19300741,
AKOS022504456,
FCH1127382,
SB22078,
3-Oxo-8-oxabicyclo[3.2.1]oct-6-ene,
AK171978,
AS-51410,
CS-0049938,
A825116,
CID557672,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number