| CAS Number | 1367945-40-1 |
| Catalog Number | AG01BB12 |
| Chemical Name | 5-oxaspiro[3.5]nonan-8-one |
| IUPAC Name | 5-oxaspiro[3.5]nonan-8-one |
| InChI | InChI=1S/C8H12O2/c9-7-2-5-10-8(6-7)3-1-4-8/h1-6H2 |
| InChI Key | ZFPLCWBNGXFUOK-UHFFFAOYSA-N |
| MDL Number | MFCD22070990 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | C1CCC12OCCC(C2)=O |
| Synonyms | 5-oxaspiro[3.5]nonan-8-one,
1367945-40-1,
SCHEMBL18366406,
ZINC82410320,
AKOS019067551,
AS-37213,
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| Complexity | 159 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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