| CAS Number | 78212-37-0 |
| Catalog Number | AG01E13V |
| Chemical Name | 1,3,5-Trimethyl-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1,3,5-trimethylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NO/c1-6-4-7(2)9(3)8(6)5-10/h4-5H,1-3H3 |
| InChI Key | ZLHCGLGZSOFCTN-UHFFFAOYSA-N |
| MDL Number | MFCD19300838 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | CC1=C(C=O)N(C)C(C)=C1 |
| Synonyms | 1,3,5-Trimethyl-1H-pyrrole-2-carbaldehyde,
78212-37-0,
SCHEMBL10972522,
ZINC37624337,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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