| CAS Number | 26386-18-5 |
| Catalog Number | AG002SZJ(AGN-PC-0O8EQQ) |
| Chemical Name | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid |
| IUPAC Name | 2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid |
| InChI | InChI=1S/C6H7NO3S/c1-7-4(8)3-11-5(7)2-6(9)10/h2H,3H2,1H3,(H,9,10) |
| InChI Key | ALNQRRSGSUDFFL-UHFFFAOYSA-N |
| MDL Number | MFCD20640719 |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.1897 |
| SMILES | CN1C(=CC(O)=O)SCC1=O |
| Synonyms | 26386-18-5,
2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid,
CTK0I6186,
DTXSID00705669,
(3-Methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid,
Acetic acid, (3-methyl-4-oxo-2-thiazolidinylidene)-, (Z)-,
Acetic acid, (3-methyl-4-oxo-2-thiazolidinylidene)-, (Z)- (9CI),
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.186g/mol |
| Monoisotopic Mass | 173.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number