Cas no 61362-12-7 (9(10H)-Anthracenone, 2-acetyl-1,6,8-trihydroxy-3-methyl-)
61362-12-7 structure
Product Name:9(10H)-Anthracenone, 2-acetyl-1,6,8-trihydroxy-3-methyl-
CAS No:61362-12-7
MF:C17H14O5
MW:298.290065288544
CID:482354
PubChem ID:71396531
Update Time:2025-04-19
9(10H)-Anthracenone, 2-acetyl-1,6,8-trihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9(10H)-Anthracenone, 2-acetyl-1,6,8-trihydroxy-3-methyl-
- 2-acetyl-1,6,8-trihydroxy-3-methyl-10H-anthracen-9-one
- 61362-12-7
- 2-Acetyl-1,6,8-trihydroxy-3-methylanthracen-9(10H)-one
- DTXSID50818091
-
- Inchi： 1S/C17H14O5/c1-7-3-9-4-10-5-11(19)6-12(20)14(10)17(22)15(9)16(21)13(7)8(2)18/h3,5-6,19-21H,4H2,1-2H3
- InChI Key： NXWQNRWVPWDVQE-UHFFFAOYSA-N
- SMILES： OC1=C(C(C)=O)C(C)=CC2=C1C(C1C(=CC(=CC=1C2)O)O)=O
Computed Properties
- Exact Mass: 298.08412
- Monoisotopic Mass: 298.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
9(10H)-Anthracenone, 2-acetyl-1,6,8-trihydroxy-3-methyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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