| CAS Number | 1418007-47-2 |
| Catalog Number | AG01DSWS |
| Chemical Name | (2E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid, E |
| IUPAC Name | 3-(1,3-thiazol-5-yl)prop-2-enoic acid |
| InChI | InChI=1S/C6H5NO2S/c8-6(9)2-1-5-3-7-4-10-5/h1-4H,(H,8,9) |
| InChI Key | LTZHGASQJGKDOQ-UHFFFAOYSA-N |
| MDL Number | MFCD06205709 |
| Molecular Formula | C6H5NO2S |
| Molecular Weight | 155.1744 |
| SMILES | S1C=NC=C1/C=C/C(=O)O |
| Synonyms | 1418007-47-2,
3-(1,3-thiazol-5-yl)prop-2-enoic acid,
(2E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid,
AKOS026741210,
(2E)-3-(1,3-thiazol-5-yl)prop-2-enoic acid, E,
Z1992316425,
2-Propenoic acid, 3-(5-thiazolyl)-,
355009-32-4,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.171g/mol |
| Monoisotopic Mass | 155.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number