Cas no 874584-13-1 (1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-)
874584-13-1 structure
Product Name:1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-
CAS No:874584-13-1
MF:C16H16O2
MW:240.297044754028
CID:656157
PubChem ID:11514239
Update Time:2025-04-19
1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl-
- 8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
- DTXSID10467867
- CHEMBL2419173
- 874584-13-1
-
- Inchi: 1S/C16H16O2/c1-16(2)7-3-4-10-8-11-12(9-13(10)16)15(18)6-5-14(11)17/h5-6,8-9H,3-4,7H2,1-2H3
- InChI Key: OQFGLBQQDUDRLO-UHFFFAOYSA-N
- SMILES: O=C1C=CC(C2C1=CC1=C(C=2)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 240.115029749g/mol
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 419
- 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: 3.7
- Topological Polar Surface Area: 34.1?2
1,4-Anthracenedione, 5,6,7,8-tetrahydro-5,5-dimethyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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