AC1Ldaot
methyl 2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carboxylate
Also Known As: Methyl 1,3,6,9b-tetraazaphenalene-4-carboxylate|1,3,6,9b-Tetraazaphenalene-4-carboxylic acid, methyl ester|1,3,6,9b-Tetraazaphenalene-4-carboxylic acid methyl ester|Methyl 1,3,6,9b-tetraazaphenalene-4-carboxylate #|methyl 2,4,8,13-tetraazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene-6-carboxylate
CAS: 37550-69-9
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06473 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06473 |
| Monoisotopic Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 37550-69-9 |
|---|---|
| SMILES | COC(=O)C1=CN=C2C=CC=C3N2C1=NC=N3 |
| InChIKey | NCJGITJMRDMFLM-UHFFFAOYSA-N |
Product Overview
AC1Ldaot (CAS 37550-69-9), with molecular formula C11H8N4O2 and molecular weight 228.06473 g/mol. IUPAC: methyl 2,4,8,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene-6-carboxylate.
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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