| CAS Number | 202118-55-6 |
| Catalog Number | AG019P3U(AGN-PC-0QSNZJ) |
| Chemical Name | 3-Acetamido-3-(4-methoxyphenyl)propanoic acid |
| IUPAC Name | 3-acetamido-3-(4-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C12H15NO4/c1-8(14)13-11(7-12(15)16)9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16) |
| InChI Key | PJJWOHFAWCCPGM-UHFFFAOYSA-N |
| MDL Number | MFCD00186488 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | COC1=CC=C(C(NC(C)=O)CC(O)=O)C=C1 |
| Synonyms | 3-acetamido-3-(4-methoxyphenyl)propanoic Acid,
3-(acetylamino)-3-(4-methoxyphenyl)propanoic acid,
202118-55-6,
AC1N2ZKT,
AC1Q4A0H,
SCHEMBL7824324,
CTK7A2364,
AKOS001279218,
AKOS016050862,
MCULE-8396516376,
NE39645,
EN300-18621,
CID4056755,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number