Isoretulinal
(12Z)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene-10-carbaldehyde
Also Known As: ISORETULINAL|(19Z)-1-Acetylcur-19-en-17-al
CAS: 62835-85-2
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18378 g/mol |
| LogP | 2.5287 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.18378 |
| Monoisotopic Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 800.8407 |
Chemical Identifiers
| CAS Number | 62835-85-2 |
|---|---|
| SMILES | C/C=C/1\CN2CCC34C2CC1C(C3N(C5=CC=CC=C45)C(=O)C)C=O |
Product Overview
Isoretulinal (CAS 62835-85-2), with molecular formula C21H24N2O2 and molecular weight 336.18378 g/mol. IUPAC: (12Z)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-triene-10-carbaldehyde.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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