methyl 4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate
methyl 4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate
Also Known As: methyl 4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate|BAS 07417132|AM-807/13103127|SR-01000363722-1|BRD-A63209207-001-07-4|4-(2,7-Diamino-3-cyano-4H-chromen-4-yl)-benzoic acid methyl ester|Methyl 4-(2,7-diamino-3-cyano-4H-1-benzopyran-4-yl)benzoate
CAS: 354554-78-2
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11133 g/mol |
| LogP | 2.27358 |
| Topological Polar Surface Area | 111.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11133 |
| Monoisotopic Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 879.37225 |
Chemical Identifiers
| CAS Number | 354554-78-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N |
Product Overview
methyl 4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate (CAS 354554-78-2), with molecular formula C18H15N3O3 and molecular weight 321.11133 g/mol. IUPAC: methyl 4-(2,7-diamino-3-cyano-4H-chromen-4-yl)benzoate.
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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