AC1LPTZ6
4-[[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]methyl]benzoic acid
Also Known As: 4-{[2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoic acid|4-[[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]methyl]benzoic Acid|4-((2-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy)methyl)benzoic acid
CAS: 690968-16-2
| Molecular Formula | C27H24O6 |
|---|---|
| Molecular Weight | 444.1573 g/mol |
| LogP | 5.0918 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.1573 |
| Monoisotopic Mass | 444.1573 |
| Heavy Atoms | 33 |
| Complexity | 1159.3723 |
Chemical Identifiers
| CAS Number | 690968-16-2 |
|---|---|
| SMILES | C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=CC=C4OCC5=CC=C(C=C5)C(=O)O)C(=O)C1 |
Product Overview
AC1LPTZ6 (CAS 690968-16-2), with molecular formula C27H24O6 and molecular weight 444.1573 g/mol. IUPAC: 4-[[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]methyl]benzoic acid.
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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