Cas no 60445-01-4 (9,10-Anthracenedione, 1,2,5-trihydroxy-3-methyl-)
60445-01-4 structure
Product Name:9,10-Anthracenedione, 1,2,5-trihydroxy-3-methyl-
CAS No:60445-01-4
MF:C15H10O5
MW:270.236904621124
CID:497661
PubChem ID:12322346
Update Time:2025-04-19
9,10-Anthracenedione, 1,2,5-trihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,2,5-trihydroxy-3-methyl-
- 1,2,5-trihydroxy-3-methylanthracene-9,10-dione
- 60445-01-4
- DTXSID80488781
-
- Inchi： 1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)13(18)7-3-2-4-9(16)10(7)14(8)19/h2-5,16-17,20H,1H3
- InChI Key： JHSWEWTWDUFSIY-UHFFFAOYSA-N
- SMILES： OC1=C(C(C)=CC2C(C3C(=CC=CC=3C(C=21)=O)O)=O)O
Computed Properties
- Exact Mass: 270.0528
- Monoisotopic Mass: 270.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 434
- 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: 3.3
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
9,10-Anthracenedione, 1,2,5-trihydroxy-3-methyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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