| CAS Number | 1499904-52-7 |
| Catalog Number | AG01B70L |
| Chemical Name | 4-(2-oxo-1,3-oxazinan-3-yl)benzonitrile |
| IUPAC Name | 4-(2-oxo-1,3-oxazinan-3-yl)benzonitrile |
| InChI | InChI=1S/C11H10N2O2/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14/h2-5H,1,6-7H2 |
| InChI Key | OMTVZGGXKLBGQH-UHFFFAOYSA-N |
| MDL Number | MFCD22720546 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=C1N(C2=CC=C(C#N)C=C2)CCCO1 |
| Synonyms | 4-(2-oxo-1,3-oxazinan-3-yl)benzonitrile,
1499904-52-7,
ZINC93965199,
AKOS018244981,
Z2678251264,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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