| CAS Number | 119580-81-3 |
| Catalog Number | AG008VGR(AGN-PC-000JI1) |
| Chemical Name | 1H-Pyrrole-2-carbonitrile,4-formyl-1-methyl-(9CI) |
| IUPAC Name | 4-formyl-1-methylpyrrole-2-carbonitrile |
| InChI | InChI=1S/C7H6N2O/c1-9-4-6(5-10)2-7(9)3-8/h2,4-5H,1H3 |
| InChI Key | CILGDZPSMMRNIB-UHFFFAOYSA-N |
| MDL Number | MFCD12923604 |
| Molecular Formula | C7H6N2O |
| Molecular Weight | 134.1353 |
| SMILES | Cn1cc(cc1C#N)C=O |
| Synonyms | 4-Formyl-1-methyl-1H-pyrrole-2-carbonitrile,
119580-81-3,
SCHEMBL6650884,
CILGDZPSMMRNIB-UHFFFAOYSA-N,
5619AH,
ZINC34241395,
AKOS015832752,
5-cyano-1-methylpyrrole-3-carbaldehyde,
DB-084631,
1-Methyl-4-formyl-1H-pyrrole-2-carbonitrile,
Y-7312,
J-004156,
1H-Pyrrole-2-carbonitrile,4-formyl-1-methyl-(9CI),
4-Formyl-1-methyl-1H-pyrrole-2-carbonitrile, AldrichCPR,
C7H6N2O,
AJ-87612,
1H-Pyrrole-2-carbonitrile, 4-formyl-1-methyl- (9CI),
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.048013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.14g/mol |
| Monoisotopic Mass | 134.048013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number