| CAS Number | 53341-66-5 |
| Catalog Number | AG01980M(AGN-PC-0KNWEZ) |
| Chemical Name | Ethyl 3-anilino-3-oxopropanoate |
| IUPAC Name | ethyl 3-anilino-3-oxopropanoate |
| InChI | InChI=1S/C11H13NO3/c1-2-15-11(14)8-10(13)12-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13) |
| InChI Key | KJSKGJKEWQJVHV-UHFFFAOYSA-N |
| MDL Number | MFCD00956734 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | O=C(CC(=O)OCC)NC1=CC=CC=C1 |
| Synonyms | ethyl 3-anilino-3-oxopropanoate,
53341-66-5,
Ethyl 3-oxo-3-(phenylamino)propanoate,
Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester,
ethyl 2-(phenylcarbamoyl)acetate,
AC1MI3OB,
SCHEMBL679125,
DTXSID00201494,
KJSKGJKEWQJVHV-UHFFFAOYSA-N,
ZINC5325404,
N-Phenylmalonamidic acid ethyl ester,
AKOS003496548,
Ethyl 3-oxo-3-(phenylamino)propionate,
2-phenylcarbamoylacetic acid ethyl ester,
F1682-0044,
C11-H13-N-O3,
CID3016808,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number