| CAS Number | 17090-19-6 |
| Catalog Number | AG019S89(AGN-PC-00TPRD) |
| Chemical Name | N-(2-methylphenyl)prop-2-enamide |
| IUPAC Name | N-(2-methylphenyl)prop-2-enamide |
| InChI | InChI=1S/C10H11NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3,(H,11,12) |
| InChI Key | RULNGIPWAOXQFQ-UHFFFAOYSA-N |
| MDL Number | MFCD02375850 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CC1=C(NC(C=C)=O)C=CC=C1 |
| Synonyms | N-(2-methylphenyl)prop-2-enamide,
17090-19-6,
2-Propenamide, N-(2-methylphenyl)-,
AC1MVWRS,
n-(2-methylphenyl)acrylamide,
SCHEMBL648951,
CHEMBL2426251,
ZINC5756261,
AKOS003287398,
MCULE-4108273912,
NE30019,
VS-0094,
EN300-92190,
Z1266854823,
CID3690178,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number