| CAS Number | 1050885-30-7 |
| Catalog Number | AG019MDH(AGN-PC-0WO4QP) |
| Chemical Name | [2-(5-methyl-2-furyl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C10H9NO3S/c1-6-2-3-8(14-6)10-11-7(5-15-10)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13) |
| InChI Key | YDVDHYNCXQZRMG-UHFFFAOYSA-N |
| MDL Number | MFCD10686779 |
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.2484 |
| SMILES | CC1OC(C2SC=C(CC(O)=O)N=2)=CC=1 |
| Synonyms | 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid,
1050885-30-7,
[2-(5-methyl-2-furyl)-1,3-thiazol-4-yl]acetic acid,
AC1Q2MP3,
CTK8F2399,
ZINC20282935,
AKOS009252088,
MCULE-5381820703,
NE25540,
EN300-35844,
Z367450968,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.246g/mol |
| Monoisotopic Mass | 223.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number