| CAS Number | 72286-38-5 |
| Catalog Number | AG00FIAF(AGN-PC-0JTLLJ) |
| Chemical Name | 3-Acetyl-2-phenyl-4-thiazolidinecarboxylic acid |
| IUPAC Name | 3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C12H13NO3S/c1-8(14)13-10(12(15)16)7-17-11(13)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,15,16) |
| InChI Key | NYATUQLQYZIJCY-UHFFFAOYSA-N |
| MDL Number | MFCD00157012 |
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.3015 |
| SMILES | CC(N1C(C2=CC=CC=C2)SCC1C(O)=O)=O |
| Synonyms | 3-ACETYL-2-PHENYL-4-THIAZOLIDINECARBOXYLIC ACID,
72286-38-5,
3-Acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid,
(2R,4R)-3-Acetyl-2-phenylthiazolidine-4-carboxylic acid,
69739-21-5,
AC1LCJTY,
3-Acetyl-2-phenyl-thiazolidine-4-carboxylic acid,
SCHEMBL5859631,
DTXSID00345049,
NYATUQLQYZIJCY-UHFFFAOYSA-N,
KM1466,
AKOS003270756,
MCULE-4645476686,
BP-13113,
N-acetyl-2-phenyl-4-carboxy-1,3-thiazolidine,
3-Acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid #,
CID601520,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.3g/mol |
| Monoisotopic Mass | 251.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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