| CAS Number | 14282-66-7 |
| Catalog Number | AG00AGW0(AGN-PC-0NICIL) |
| Chemical Name | 4-Formylthiophene-2-carboxylic acid |
| IUPAC Name | 4-formylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4O3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3H,(H,8,9) |
| InChI Key | NUIXLPFZDJBSRX-UHFFFAOYSA-N |
| MDL Number | MFCD20644789 |
| Molecular Formula | C6H4O3S |
| Molecular Weight | 156.1592 |
| SMILES | OC(C1SC=C(C=O)C=1)=O |
| Synonyms | 2-Thiophenecarboxylic acid, 4-formyl-,
14282-66-7,
4-formylthiophene-2-carboxylic acid,
CTK0F0113,
DTXSID60483951,
4-Formyl-2-thiophenecarboxylic acid,
ZINC39200414,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.155g/mol |
| Monoisotopic Mass | 155.988g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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