| CAS Number | 1342710-27-3 |
| Catalog Number | AG009VWG(AGN-PC-0WO79G) |
| Chemical Name | 3,3-Dimethyl-7-oxabicyclo[4.1.0]heptane |
| IUPAC Name | 3,3-dimethyl-7-oxabicyclo[4.1.0]heptane |
| InChI | InChI=1S/C8H14O/c1-8(2)4-3-6-7(5-8)9-6/h6-7H,3-5H2,1-2H3 |
| InChI Key | WXICLKYYGYQIGX-UHFFFAOYSA-N |
| MDL Number | MFCD20319625 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC1(CC2C(O2)CC1)C |
| Synonyms | 3,3-dimethyl-7-oxabicyclo[4.1.0]heptane,
1342710-27-3,
SCHEMBL15066263,
AKOS013739903,
NE35236,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number