| CAS Number | 1225494-93-8 |
| Catalog Number | AG01AAHS |
| Chemical Name | 3-acetamido-3-(2-ethoxyphenyl)propanoic acid |
| IUPAC Name | 3-acetamido-3-(2-ethoxyphenyl)propanoic acid |
| InChI | InChI=1S/C13H17NO4/c1-3-18-12-7-5-4-6-10(12)11(8-13(16)17)14-9(2)15/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChI Key | IGSHTXCLTXQOEC-UHFFFAOYSA-N |
| MDL Number | MFCD16327517 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | CCOC1=C(C(NC(C)=O)CC(O)=O)C=CC=C1 |
| Synonyms | 3-acetamido-3-(2-ethoxyphenyl)propanoic acid,
1225494-93-8,
AC1Q35KB,
CHEMBL3462415,
AKOS012422124,
MCULE-6104025510,
NE38553,
EN300-68652,
Z1178484515,
|
| Complexity | 293 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number