Cas no 87712-25-2 (9,10-Anthracenedione, 1,4-bis(acetyloxy)-5-hydroxy-)
87712-25-2 structure
Product Name:9,10-Anthracenedione, 1,4-bis(acetyloxy)-5-hydroxy-
CAS No:87712-25-2
MF:C18H12O7
MW:340.283685684204
CID:653171
PubChem ID:71412296
Update Time:2025-04-19
9,10-Anthracenedione, 1,4-bis(acetyloxy)-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,4-bis(acetyloxy)-5-hydroxy-
- (4-acetyloxy-5-hydroxy-9,10-dioxoanthracen-1-yl) acetate
- 5-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,4-diyldiacetate
- 87712-25-2
- 5-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-1,4-diyl diacetate
- DTXSID80831859
-
- Inchi： 1S/C18H12O7/c1-8(19)24-12-6-7-13(25-9(2)20)16-15(12)17(22)10-4-3-5-11(21)14(10)18(16)23/h3-7,21H,1-2H3
- InChI Key： MPZQFVYQMATYMH-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=C(C2C(C3C=CC=C(C=3C(C=21)=O)O)=O)OC(C)=O
Computed Properties
- Exact Mass: 340.05830272g/mol
- Monoisotopic Mass: 340.05830272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 598
- 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: 2.6
- Topological Polar Surface Area: 107?2
9,10-Anthracenedione, 1,4-bis(acetyloxy)-5-hydroxy- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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