| CAS Number | 1315368-50-3 |
| Catalog Number | AG01AJ7P(AGN-PC-0WO44I) |
| Chemical Name | 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H13NO3S/c1-3-13-6(2)9-10-7(5-14-9)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,11,12) |
| InChI Key | QAENIAYDUDFSDW-UHFFFAOYSA-N |
| MDL Number | MFCD19382128 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | CCOC(C1SC=C(CC(O)=O)N=1)C |
| Synonyms | 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetic acid,
1315368-50-3,
AKOS013585927,
MCULE-8526193038,
NE42769,
EN300-79974,
Z1259340023,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number