| CAS Number | 1507014-82-5 |
| Catalog Number | AG01BFKB(AGN-PC-0WORAT) |
| Chemical Name | 2-(2-Oxo-1,3-oxazinan-3-yl)benzonitrile |
| IUPAC Name | 2-(2-oxo-1,3-oxazinan-3-yl)benzonitrile |
| InChI | InChI=1S/C11H10N2O2/c12-8-9-4-1-2-5-10(9)13-6-3-7-15-11(13)14/h1-2,4-5H,3,6-7H2 |
| InChI Key | JEKQTBCZRKIUON-UHFFFAOYSA-N |
| MDL Number | MFCD22720538 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=C1N(C2=C(C#N)C=CC=C2)CCCO1 |
| Synonyms | 2-(2-oxo-1,3-oxazinan-3-yl)benzonitrile,
1507014-82-5,
ZINC93965144,
AKOS018244338,
NE20747,
EN300-187353,
Z1889996337,
|
| Complexity | 294 |
| 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
Lot Number