AC1LTIXI structure

AC1LTIXI

3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Also Known As: ChemDiv1_010815|Oprea1_434549|HMS617L13|J1.810.626D|3,3,6,6-tetramethyl-9-(4-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione|SR-01000509933-1|3,3,6,6-tetramethyl-9-(4-nitrophenyl)-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione|A0601/0027810|3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione|2,3,4,5,6,7-Hexahydro-3,3,6,6-tetramethyl-9-(4-nitrophenyl)-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-2,3,4,5,6,7-hexahydro-9-(4-nitrophenyl)-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(4-nitrophenyl)-1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(4-nitrophenyl)-2,3,4,5,6,7-hexahydro-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(4-nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(4-nitrophenyl)-3,4,5,6-tetrahydro-9H-xanthene-1,8(2H,7H)-dione|3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-(4-nitrophenyl)-1H-xanthene-1,8(2H)-dione|9-(4-Nitrophenyl)-2,3,4,5,6,7-hexahydro-3,3,6,6-tetramethyl-9H-xanthene-1,8-dione|9-(4-Nitrophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione|9-(4-nitrophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione|9-(4-Nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7-hexahydro-1H-xanthene-1,8(9H)-dione|9-(4-Nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9H-xanthene-1(2H),8(7H)-dione|9-(4-Nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9H-xanthene-1,8(2H,7H)-dione|9beta-(4-Nitrophenyl)-1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethyl-9H-xanthene-1,8-dione

CAS: 40588-46-3
Molecular Formula C23H25NO5
Molecular Weight 395.17328 g/mol
LogP 4.995
Topological Polar Surface Area 86.51 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 395.17328
Monoisotopic Mass 395.17328
Heavy Atoms 29
Complexity 942.5995

Chemical Identifiers

CAS Number 40588-46-3
SMILES CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

Product Overview

AC1LTIXI (CAS 40588-46-3), with molecular formula C23H25NO5 and molecular weight 395.17328 g/mol. IUPAC: 3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.

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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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