| CAS Number | 187932-66-7 |
| Catalog Number | AG019SVL(AGN-PC-06QJC2) |
| Chemical Name | N-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| IUPAC Name | N-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| InChI | InChI=1S/C12H15NO4/c1-5-11(14)13-8-6-9(15-2)12(17-4)10(7-8)16-3/h5-7H,1H2,2-4H3,(H,13,14) |
| InChI Key | OTGLDDUPTBGBIT-UHFFFAOYSA-N |
| MDL Number | MFCD12091153 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | COC1=C(OC)C(OC)=CC(NC(C=C)=O)=C1 |
| Synonyms | N-(3,4,5-trimethoxyphenyl)prop-2-enamide,
187932-66-7,
2-Propenamide, N-(3,4,5-trimethoxyphenyl)-,
SCHEMBL4035376,
ZINC36334195,
AKOS009807474,
MCULE-1717911054,
NE18574,
Z1270446338,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number