| CAS Number | 126926-39-4 |
| Catalog Number | AG000THN(AGN-PC-0JNH1S) |
| Chemical Name | N-Ethyl-3-formylbenzamide |
| IUPAC Name | N-ethyl-3-formylbenzamide |
| InChI | InChI=1S/C10H11NO2/c1-2-11-10(13)9-5-3-4-8(6-9)7-12/h3-7H,2H2,1H3,(H,11,13) |
| InChI Key | YSRDIXULXFNNEI-UHFFFAOYSA-N |
| MDL Number | MFCD18381846 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | C(C)NC(C1=CC(=CC=C1)C=O)=O |
| Synonyms | N-Ethyl-3-formylbenzamide,
126926-39-4,
Benzamide, N-ethyl-3-formyl-,
Benzamide,N-ethyl-3-formyl-,
AC1L4BLQ,
ACMC-20ms98,
SCHEMBL6184692,
CTK4B5428,
DTXSID00155342,
ZINC5852845,
AKOS015996499,
N-ETHYL-3-FORMYL-BENZAMIDE,
C10-H11-N-O2,
CID182773,
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| Complexity | 191 |
| 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 | 1 |
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Certificate of Analysis
Lot Number