AC1L7I1E
ethyl 2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl|ethyl 2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate
CAS: 53413-56-2
| Molecular Formula | C18H15N3O6 |
|---|---|
| Molecular Weight | 369.0961 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0961 |
| Monoisotopic Mass | 369.0961 |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 53413-56-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N |
| InChIKey | OFHGNLBJLSNQEA-UHFFFAOYSA-N |
Product Overview
AC1L7I1E (CAS 53413-56-2), with molecular formula C18H15N3O6 and molecular weight 369.0961 g/mol. IUPAC: ethyl 2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate.
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 →
AC1L7I1E is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »