AC1LPDQD structure

AC1LPDQD

[6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate

Also Known As: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate|[6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate|6-(4-METHOXYPHENYL)-1,3-DIMETHYL-8-OXOCYCLOHEPTA[C]FURAN-4-YL 3-NITROBENZOATE

CAS: 700856-06-0
Molecular Formula C25H19NO7
Molecular Weight 445.11615 g/mol
LogP 5.21284
Topological Polar Surface Area 108.88 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 445.11615
Monoisotopic Mass 445.11615
Heavy Atoms 33
Complexity 1452.5925

Chemical Identifiers

CAS Number 700856-06-0
SMILES CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Product Overview

AC1LPDQD (CAS 700856-06-0), with molecular formula C25H19NO7 and molecular weight 445.11615 g/mol. IUPAC: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate.

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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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