Cas no 85313-89-9 (9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propenyl)-)
85313-89-9 structure
Product Name:9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propenyl)-
CAS No:85313-89-9
MF:C19H16O4
MW:308.327945709229
CID:664655
PubChem ID:5013064
Update Time:2024-03-02
9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
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- 9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propenyl)-
- 1,8-dimethoxy-2-prop-2-enylanthracene-9,10-dione
- 9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propen-1-yl)-
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- Inchi： 1S/C19H16O4/c1-4-6-11-9-10-13-16(19(11)23-3)18(21)15-12(17(13)20)7-5-8-14(15)22-2/h4-5,7-10H,1,6H2,2-3H3
- InChI Key： CUOACMDJIPKRBT-UHFFFAOYSA-N
- SMILES： C1(OC)=C2C(C(=O)C3=C(C2=O)C(OC)=CC=C3)=CC=C1CC=C
Computed Properties
- Exact Mass: 308.10485899g/mol
- Monoisotopic Mass: 308.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 486
- 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: 3.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.226±0.06 g/cm3(Predicted)
- Boiling Point: 489.4±45.0 °C(Predicted)
9,10-Anthracenedione, 1,8-dimethoxy-2-(2-propenyl)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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