| CAS Number | 67808-68-8 |
| Catalog Number | AG00636I(AGN-PC-00L71W) |
| Chemical Name | Methyl 4-formyl-2-thiophenecarboxylate |
| IUPAC Name | methyl 4-formylthiophene-2-carboxylate |
| InChI | InChI=1S/C7H6O3S/c1-10-7(9)6-2-5(3-8)4-11-6/h2-4H,1H3 |
| InChI Key | ANWBBQDQVAXJJX-UHFFFAOYSA-N |
| MDL Number | MFCD06803381 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | C(=O)C=1C=C(SC1)C(=O)OC |
| Synonyms | methyl 4-formylthiophene-2-carboxylate,
67808-68-8,
Methyl 4-formyl-2-thiophenecarboxylate,
2-Thiophenecarboxylic acid, 4-formyl-, methyl ester,
CTK1J2921,
DTXSID80522891,
ANWBBQDQVAXJJX-UHFFFAOYSA-N,
MFCD06803381,
SBB051469,
STK661764,
ZINC22201808,
AKOS005138143,
MCULE-3146612194,
ST4148462,
BB 0240270,
Y-2581,
4-Formyl-thiophene-2-carboxylic acid methyl ester,
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| Complexity | 169 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.182g/mol |
| Monoisotopic Mass | 170.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number