| CAS Number | 1092306-23-4 |
| Catalog Number | AG01A5RI |
| Chemical Name | 5-(5-Methylfuran-2-yl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H8O3S/c1-6-2-3-7(13-6)8-4-5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | JSMYBMVEUSDVSN-UHFFFAOYSA-N |
| MDL Number | MFCD07376000 |
| Molecular Formula | C10H8O3S |
| Molecular Weight | 208.2337 |
| SMILES | CC1OC(C2SC(C(O)=O)=CC=2)=CC=1 |
| Synonyms | 5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid,
1092306-23-4,
SCHEMBL18169191,
ZINC26513790,
AKOS009251490,
MCULE-7149338196,
NE28404,
Z1634928598,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.231g/mol |
| Monoisotopic Mass | 208.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number