| CAS Number | 1306138-32-8 |
| Catalog Number | AG01A1V9 |
| Chemical Name | methyl 3-(2-phenoxypropanamido)propanoate |
| IUPAC Name | methyl 3-(2-phenoxypropanoylamino)propanoate |
| InChI | InChI=1S/C13H17NO4/c1-10(18-11-6-4-3-5-7-11)13(16)14-9-8-12(15)17-2/h3-7,10H,8-9H2,1-2H3,(H,14,16) |
| InChI Key | WULWIHSHNQWARX-UHFFFAOYSA-N |
| MDL Number | MFCD13223814 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | COC(CCNC(C(OC1=CC=CC=C1)C)=O)=O |
| Synonyms | methyl 3-(2-phenoxypropanamido)propanoate,
1306138-32-8,
AKOS008933344,
NE61341,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number