| CAS Number | 67808-74-6 |
| Catalog Number | AG00FH72(AGN-PC-0WAIQG) |
| Chemical Name | Ethyl 4-formylthiophene-3-carboxylate |
| IUPAC Name | ethyl 4-formylthiophene-3-carboxylate |
| InChI | InChI=1S/C8H8O3S/c1-2-11-8(10)7-5-12-4-6(7)3-9/h3-5H,2H2,1H3 |
| InChI Key | NIWFVGVEYJQBOT-UHFFFAOYSA-N |
| MDL Number | MFCD28125618 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | O=C(C1=CSC=C1C=O)OCC |
| Synonyms | Ethyl 4-formylthiophene-3-carboxylate,
67808-74-6,
MFCD28125618,
ZINC98181735,
AKOS024463452,
AK161045,
AJ-142842,
AX8294030,
ST24047038,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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