| CAS Number | 382609-95-2 |
| Catalog Number | AG019KBS(AGN-PC-0WOU5Q) |
| Chemical Name | 3-Acetamido-3-(thiophen-2-yl)propanoic acid |
| IUPAC Name | 3-acetamido-3-thiophen-2-ylpropanoic acid |
| InChI | InChI=1S/C9H11NO3S/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | QWGNBONLKWHDHS-UHFFFAOYSA-N |
| MDL Number | MFCD01084326 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | CC(NC(C1SC=CC=1)CC(O)=O)=O |
| Synonyms | 3-acetamido-3-(thiophen-2-yl)propanoic acid,
3-(acetylamino)-3-thien-2-ylpropanoic acid,
382609-95-2,
AC1Q1KG2,
Oprea1_230744,
CTK7J1839,
AKOS000118054,
AKOS022305134,
MCULE-9824608009,
NE60355,
EN300-26319,
Z224241686,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number