| CAS Number | 1339866-28-2 |
| Catalog Number | AG01BS8M |
| Chemical Name | 1-oxaspiro[5.5]undecan-4-one |
| IUPAC Name | 1-oxaspiro[5.5]undecan-4-one |
| InChI | InChI=1S/C10H16O2/c11-9-4-7-12-10(8-9)5-2-1-3-6-10/h1-8H2 |
| InChI Key | HPYXIUXIBPIOMM-UHFFFAOYSA-N |
| MDL Number | MFCD19651103 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | O=C1CC2(CCCCC2)OCC1 |
| Synonyms | 1-oxaspiro[5.5]undecan-4-one,
1339866-28-2,
SCHEMBL12542094,
MFCD19651103,
ZINC69853027,
AKOS013423256,
AS-43030,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number