| CAS Number | 1268334-86-6 |
| Catalog Number | AG00J2HW(AGN-PC-0WB5YE) |
| Chemical Name | 1-ethyl-4-formyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 1-ethyl-4-formylpyrrole-2-carbonitrile |
| InChI | InChI=1S/C8H8N2O/c1-2-10-5-7(6-11)3-8(10)4-9/h3,5-6H,2H2,1H3 |
| InChI Key | NCJZTGAMMGYNHT-UHFFFAOYSA-N |
| MDL Number | MFCD18447677 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | CCN1C=C(C=C1C#N)C=O |
| Synonyms | 1-ethyl-4-formyl-1H-pyrrole-2-carbonitrile,
1268334-86-6,
ZX-CM009718,
FCH898633,
MFCD18447677,
ZINC59270622,
AKOS006315858,
Y-7946,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number