| CAS Number | 913828-75-8 |
| Catalog Number | AG003LCM(AGN-PC-093IH5) |
| Chemical Name | 4-Ethynylthiophene-2-carbaldehyde |
| IUPAC Name | 4-ethynylthiophene-2-carbaldehyde |
| InChI | InChI=1S/C7H4OS/c1-2-6-3-7(4-8)9-5-6/h1,3-5H |
| InChI Key | KLJYDZXBWYSFCT-UHFFFAOYSA-N |
| MDL Number | MFCD17168301 |
| Molecular Formula | C7H4OS |
| Molecular Weight | 136.1711 |
| SMILES | O=Cc1scc(c1)C#C |
| Synonyms | 4-ethynylthiophene-2-carbaldehyde,
913828-75-8,
SCHEMBL3128802,
KLJYDZXBWYSFCT-UHFFFAOYSA-N,
4-Ethynylthiophene-2-carboxaldehyde,
2-Thiophenecarboxaldehyde, 4-ethynyl-,
AKOS015955109,
MCULE-2423965005,
A1-12426,
2-Thiophenecarboxaldehyde, 4-ethynyl,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.168g/mol |
| Monoisotopic Mass | 135.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number