| CAS Number | 37673-08-8 |
| Catalog Number | AG019F0B(AGN-PC-0REJ1W) |
| Chemical Name | 2-(2-Methoxyphenyl)-2-morpholinoacetonitrile |
| IUPAC Name | 2-(2-methoxyphenyl)-2-morpholin-4-ylacetonitrile |
| InChI | InChI=1S/C13H16N2O2/c1-16-13-5-3-2-4-11(13)12(10-14)15-6-8-17-9-7-15/h2-5,12H,6-9H2,1H3 |
| InChI Key | WMTIBMMUBUEJJQ-UHFFFAOYSA-N |
| MDL Number | MFCD10005143 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | COc1ccccc1C(C#N)N1CCOCC1 |
| Synonyms | 37673-08-8,
2-(2-methoxyphenyl)-2-morpholin-4-ylacetonitrile,
2-(2-METHOXYPHENYL)-2-(MORPHOLIN-4-YL)ACETONITRILE,
2-(2-Methoxyphenyl)-2-morpholinoacetonitrile,
MFCD10005143,
ABA-1100140,
TZ000722,
CS-0036715,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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