| CAS Number | 566926-04-3 |
| Catalog Number | AG01B1I7(AGN-PC-0DQ00J) |
| Chemical Name | 2-cyano-N-[(2-methylphenyl)methyl]acetamide |
| IUPAC Name | 2-cyano-N-[(2-methylphenyl)methyl]acetamide |
| InChI | InChI=1S/C11H12N2O/c1-9-4-2-3-5-10(9)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14) |
| InChI Key | NXYAIOQQHKBFOH-UHFFFAOYSA-N |
| MDL Number | MFCD16044208 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC1=C(CNC(CC#N)=O)C=CC=C1 |
| Synonyms | 2-cyano-N-[(2-methylphenyl)methyl]acetamide,
566926-04-3,
SCHEMBL6318135,
2-cyano-n-(2-methylbenzyl)acetamide,
ZINC48265901,
AKOS010126080,
MCULE-5340293819,
NE46007,
Z1688500035,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number