| CAS Number | 730956-98-6 |
| Catalog Number | AG019PQA |
| Chemical Name | 2-[2-(2-Ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid |
| IUPAC Name | 2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid |
| InChI | InChI=1S/C9H11NO5S/c1-2-15-9(14)3-7-10(4-8(12)13)6(11)5-16-7/h3H,2,4-5H2,1H3,(H,12,13) |
| InChI Key | LKIZGGQUGGEKEA-UHFFFAOYSA-N |
| MDL Number | MFCD26143592 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | CCOC(C=C1N(CC(O)=O)C(=O)CS1)=O |
| Synonyms | 2-[2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid,
730956-98-6,
AC1MMXNA,
AKOS034467371,
MCULE-1803528736,
Z56944552,
CID3268354,
2-[2-(ethoxycarbonylmethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic Acid,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.2 |
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