| CAS Number | 104478-16-2 |
| Catalog Number | AG01DTBL(AGN-PC-00NHAA) |
| Chemical Name | N-ethyl-4-formylbenzamide |
| IUPAC Name | N-ethyl-4-formylbenzamide |
| InChI | InChI=1S/C10H11NO2/c1-2-11-10(13)9-5-3-8(7-12)4-6-9/h3-7H,2H2,1H3,(H,11,13) |
| InChI Key | IVFFMMNZTKCXEE-UHFFFAOYSA-N |
| MDL Number | MFCD18381839 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | CCNC(C1=CC=C(C=O)C=C1)=O |
| Synonyms | N-ethyl-4-formyl-benzamide,
N-ethyl-4-formylbenzamide,
104478-16-2,
Benzamide, N-ethyl-4-formyl-,
SCHEMBL10050990,
AKOS015996472,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number