| CAS Number | 134179-01-4 |
| Catalog Number | AG00HT8Y(AGN-PC-0N6KAI) |
| Chemical Name | 1-Oxaspiro[4.4]nonan-6-one |
| IUPAC Name | 1-oxaspiro[4.4]nonan-9-one |
| InChI | InChI=1S/C8H12O2/c9-7-3-1-4-8(7)5-2-6-10-8/h1-6H2 |
| InChI Key | XKWJYHWZACPOAU-UHFFFAOYSA-N |
| MDL Number | MFCD22421761 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | O=C1C2(OCCC2)CCC1 |
| Synonyms | 1-Oxaspiro[4.4]nonan-6-one,
134179-01-4,
SCHEMBL3860008,
1-Oxaspiro[4.4]nonane-6-one,
AKOS025311402,
1-oxaspiro[4.4]nonan-9-one,
CID10558699,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number