| CAS Number | 391936-74-6 |
| Catalog Number | AG00CKJL(AGN-PC-09PW5O) |
| Chemical Name | 5-Formyl-4-methylthiophene-2-carboxylic acid |
| IUPAC Name | 5-formyl-4-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H6O3S/c1-4-2-5(7(9)10)11-6(4)3-8/h2-3H,1H3,(H,9,10) |
| InChI Key | UNBOWFQAUBVHML-UHFFFAOYSA-N |
| MDL Number | MFCD15730654 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | C(=O)C1=C(C=C(S1)C(=O)O)C |
| Synonyms | 5-formyl-4-methylthiophene-2-carboxylic acid,
391936-74-6,
SCHEMBL2064339,
UNBOWFQAUBVHML-UHFFFAOYSA-N,
ZINC49453536,
AKOS006334200,
NE44712,
RP23236,
5-formyl-4-methyl-thiophene-2-carboxylic acid,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.182g/mol |
| Monoisotopic Mass | 170.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number