3,4,7-Trimethoxycoumarin
3,4,7-trimethoxychromen-2-one
Also Known As: 3,4,7-Trimethoxycoumarin|Coumarin, 3,4,7-trimethoxy-|3,4,7-trimethoxychromen-2-one|2H-1-Benzopyran-2-one, 3,4,7-trimethoxy-|3,4,7-Trimethoxy-2H-chromen-2-one|3,4,7-Trimethoxy-2H-chromen-2-one #|3,4,7-Trimethoxy-2H-1-benzopyran-2-one
CAS: 29076-72-0
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.06847 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Monoisotopic Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 29076-72-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC)OC |
| InChIKey | AYMSWLVOSROJFX-UHFFFAOYSA-N |
Product Overview
3,4,7-Trimethoxycoumarin (CAS 29076-72-0), with molecular formula C12H12O5 and molecular weight 236.06847 g/mol. IUPAC: 3,4,7-trimethoxychromen-2-one.
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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