| CAS Number | 894644-29-2 |
| Catalog Number | AG01B1I5 |
| Chemical Name | 2-cyano-N-[1-(4-methoxyphenyl)ethyl]acetamide |
| IUPAC Name | 2-cyano-N-[1-(4-methoxyphenyl)ethyl]acetamide |
| InChI | InChI=1S/C12H14N2O2/c1-9(14-12(15)7-8-13)10-3-5-11(16-2)6-4-10/h3-6,9H,7H2,1-2H3,(H,14,15) |
| InChI Key | ULLRLUHVSBEXDY-UHFFFAOYSA-N |
| MDL Number | MFCD07166643 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | COC1=CC=C(C(NC(CC#N)=O)C)C=C1 |
| Synonyms | 2-cyano-N-[1-(4-methoxyphenyl)ethyl]acetamide,
894644-29-2,
AKOS015540099,
BC4754904,
EN300-171743,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number