Cas no 139373-60-7 (1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-)
139373-60-7 structure
Product Name:1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-
CAS No:139373-60-7
MF:C26H32O2
MW:376.531087875366
CID:1268849
PubChem ID:71342843
Update Time:2025-04-20
1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-
- 5,6,7-tritert-butylanthracene-1,4-dione
- 5,6,7-Tri-tert-butylanthracene-1,4-dione
- 139373-60-7
- DTXSID40769543
- 5,6,7-tri-t-butyl-1,4-anthraquinone
-
- Inchi: 1S/C26H32O2/c1-24(2,3)19-13-15-12-17-18(21(28)11-10-20(17)27)14-16(15)22(25(4,5)6)23(19)26(7,8)9/h10-14H,1-9H3
- InChI Key: UQABXRDNBUXVSU-UHFFFAOYSA-N
- SMILES: O=C1C=CC(C2C1=CC1=C(C=2)C=C(C(C)(C)C)C(=C1C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 376.24036
- Monoisotopic Mass: 376.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 664
- 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: 7.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
139373-60-7 (1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-) Related Products
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