| CAS Number | 566926-09-8 |
| Catalog Number | AG00IA42(AGN-PC-0AJ8C3) |
| Chemical Name | Acetamide, 2-cyano-N-[(3-methoxyphenyl)methyl]- |
| IUPAC Name | 2-cyano-N-[(3-methoxyphenyl)methyl]acetamide |
| InChI | InChI=1S/C11H12N2O2/c1-15-10-4-2-3-9(7-10)8-13-11(14)5-6-12/h2-4,7H,5,8H2,1H3,(H,13,14) |
| InChI Key | YRUROVCSGZJLIT-UHFFFAOYSA-N |
| MDL Number | MFCD12824545 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | COc1cccc(c1)CNC(=O)CC#N |
| Synonyms | 2-cyano-N-(3-methoxybenzyl)acetamide,
566926-09-8,
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide,
2-cyano-n-(3-methoxy-benzyl)-acetamide,
SCHEMBL2261867,
BBL023505,
HTS000805,
MFCD12824545,
STL284690,
ZINC38078084,
AKOS006146969,
BS-3326,
MCULE-1508058801,
KS-000023A8,
C11H12N2O2,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number