AC1L8ULB
3-imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: Oprea1_809437|NCI60_029312|3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile|2-imino-4,8-dimethyl-6-phenyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile|3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile
CAS: 95059-18-0
| Molecular Formula | C17H14N4O2 |
|---|---|
| Molecular Weight | 306.11166 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.11166 |
| Monoisotopic Mass | 306.11166 |
| Heavy Atoms | 23 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 95059-18-0 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CC=C3)C |
| InChIKey | YNQTYKJCVYDGNT-UHFFFAOYSA-N |
Product Overview
AC1L8ULB (CAS 95059-18-0), with molecular formula C17H14N4O2 and molecular weight 306.11166 g/mol. IUPAC: 3-imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
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.
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