| CAS Number | 59786-36-6 |
| Catalog Number | AG00EJMX(AGN-PC-0NICI9) |
| Chemical Name | 4-Formylthiophene-2-carbonitrile |
| IUPAC Name | 4-formylthiophene-2-carbonitrile |
| InChI | InChI=1S/C6H3NOS/c7-2-6-1-5(3-8)4-9-6/h1,3-4H |
| InChI Key | SCBOWDZUPXXCOQ-UHFFFAOYSA-N |
| MDL Number | MFCD24387507 |
| Molecular Formula | C6H3NOS |
| Molecular Weight | 137.1591 |
| SMILES | C(=O)C=1C=C(SC1)C#N |
| Synonyms | 4-formylthiophene-2-carbonitrile,
59786-36-6,
2-Thiophenecarbonitrile, 4-formyl-,
2-cyano-4-formylthiophene,
SCHEMBL4119876,
SCBOWDZUPXXCOQ-UHFFFAOYSA-N,
ZINC39200410,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.156g/mol |
| Monoisotopic Mass | 136.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number