| CAS Number | 1087784-62-0 |
| Catalog Number | AG019N2D(AGN-PC-0WOSXM) |
| Chemical Name | 4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H9NO3S/c1-5-3-4-7(14-5)9-11-6(2)8(15-9)10(12)13/h3-4H,1-2H3,(H,12,13) |
| InChI Key | WQDZTKMQAIQREA-UHFFFAOYSA-N |
| MDL Number | MFCD11505389 |
| Molecular Formula | C10H9NO3S |
| Molecular Weight | 223.2484 |
| SMILES | CC1OC(C2SC(C(O)=O)=C(C)N=2)=CC=1 |
| Synonyms | 4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxylic acid,
1087784-62-0,
4-methyl-2-(5-methyl-2-furyl)-1,3-thiazole-5-carboxylic acid,
AC1Q2MP2,
CTK6B9930,
ZINC32627512,
AKOS009321339,
MCULE-4511030433,
NE33219,
EN300-39219,
AB01007436-01,
Z398556892,
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| Complexity | 261 |
| 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 | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number