| CAS Number | 159329-38-1 |
| Catalog Number | AG00B0DL(AGN-PC-09TBQI) |
| Chemical Name | 1,4-Dioxaspiro[4.4]nonane-7-carbonitrile |
| IUPAC Name | 1,4-dioxaspiro[4.4]nonane-8-carbonitrile |
| InChI | InChI=1S/C8H11NO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-5H2 |
| InChI Key | AIGSEZMXORSNKO-UHFFFAOYSA-N |
| MDL Number | MFCD18806247 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | N#CC1CC2(OCCO2)CC1 |
| Synonyms | 1,4-Dioxaspiro[4.4]nonane-7-carbonitrile,
159329-38-1,
CTK0H0784,
DTXSID20702635,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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