| CAS Number | 67852-27-1 |
| Catalog Number | AG005P8J(AGN-PC-00JT3K) |
| Chemical Name | 1-Oxa-3-azaspiro[4.4]nonane-2,4-dione |
| IUPAC Name | 1-oxa-3-azaspiro[4.4]nonane-2,4-dione |
| InChI | InChI=1S/C7H9NO3/c9-5-7(3-1-2-4-7)11-6(10)8-5/h1-4H2,(H,8,9,10) |
| InChI Key | MEZFDLNHBQSENG-UHFFFAOYSA-N |
| MDL Number | MFCD18810714 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | O=C1OC2(CCCC2)C(=O)N1 |
| Synonyms | 1-Oxa-3-azaspiro[4.4]nonane-2,4-dione,
67852-27-1,
SCHEMBL5394254,
CTK1H6589,
DTXSID30511619,
ZINC39318225,
AKOS026740941,
BS-12505,
CS-0091376,
Z2108810155,
1-Oxa-3-azaspiro[4.4]nonane-2,4-dione (6CI,9CI),
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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