Cas no 56181-33-0 (1,4-Dimethylanthracen-9(10H)-one)
56181-33-0 structure
Product Name:1,4-Dimethylanthracen-9(10H)-one
CAS No:56181-33-0
MF:C16H14O
MW:222.281764507294
CID:2832070
PubChem ID:12333729
Update Time:2025-04-21
1,4-Dimethylanthracen-9(10H)-one Chemical and Physical Properties
Names and Identifiers
-
- DTXCID50441808
- DTXSID10490998
- 1,4-Dimethylanthracen-9(10H)-one
- 56181-33-0
- SCHEMBL6903907
-
- Inchi： 1S/C16H14O/c1-10-7-8-11(2)15-14(10)9-12-5-3-4-6-13(12)16(15)17/h3-8H,9H2,1-2H3
- InChI Key： FDRVVBCMADRHMK-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2CC2C(C)=CC=C(C)C=21
Computed Properties
- Exact Mass: 222.104465066g/mol
- Monoisotopic Mass: 222.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 309
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
1,4-Dimethylanthracen-9(10H)-one Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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