| CAS Number | 53686-05-8 |
| Catalog Number | AG01B5GR(AGN-PC-0JWIUO) |
| Chemical Name | 4-Formylthiophene-3-carboxylic acid |
| IUPAC Name | 4-formylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H4O3S/c7-1-4-2-10-3-5(4)6(8)9/h1-3H,(H,8,9) |
| InChI Key | ZONWYWSSWFMJRC-UHFFFAOYSA-N |
| MDL Number | MFCD01859868 |
| Molecular Formula | C6H4O3S |
| Molecular Weight | 156.1592 |
| SMILES | C(=O)C=1C(=CSC1)C(=O)O |
| Synonyms | 4-formylthiophene-3-carboxylic acid,
53686-05-8,
3-Thiophenecarboxylic acid, 4-formyl-,
AC1LGC8A,
SCHEMBL5734466,
CTK1G0417,
DTXSID10355997,
ZINC334110,
4-formyl-3-thiophenecarboxylic acid,
SBB087147,
AKOS006275974,
CID818884,
AI-942/25034151,
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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 | 0.6 |
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Certificate of Analysis
Lot Number