| CAS Number | 159326-76-8 |
| Catalog Number | AG00J2MA(AGN-PC-0WB62A) |
| Chemical Name | 5-ethyl-1H-pyrrole-2-carbonitrile |
| IUPAC Name | 5-ethyl-1H-pyrrole-2-carbonitrile |
| InChI | InChI=1S/C7H8N2/c1-2-6-3-4-7(5-8)9-6/h3-4,9H,2H2,1H3 |
| InChI Key | JJHPJKNNGFQBAL-UHFFFAOYSA-N |
| MDL Number | MFCD19982762 |
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.1518 |
| SMILES | N1([H])C(CC)=CC=C1C#N |
| Synonyms | 5-ethyl-1H-pyrrole-2-carbonitrile,
159326-76-8,
1H-Pyrrole-2-carbonitrile, 5-ethyl-,
ZX-CM010095,
MFCD19982762,
ZINC34060336,
AKOS027426499,
FCH1314950,
Y-8151,
CID9989255,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.155g/mol |
| Monoisotopic Mass | 120.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number