Cas no 144686-00-0 (1-Alkyl-3,5,8-trihydroxyanthraquinones; 3,5,8-Trihydroxy-1-methylanthraquinone)
144686-00-0 structure
Product Name:1-Alkyl-3,5,8-trihydroxyanthraquinones; 3,5,8-Trihydroxy-1-methylanthraquinone
CAS No:144686-00-0
MF:C15H10O5
MW:270.236904621124
CID:2777724
PubChem ID:10912569
Update Time:2025-04-21
1-Alkyl-3,5,8-trihydroxyanthraquinones; 3,5,8-Trihydroxy-1-methylanthraquinone Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL16433142
- DTXSID60448161
- 9,10-Anthracenedione, 3,5,8-trihydroxy-1-methyl-
- 144686-00-0
- 1-Alkyl-3,5,8-trihydroxyanthraquinones; 3,5,8-Trihydroxy-1-methylanthraquinone
-
- Inchi： 1S/C15H10O5/c1-6-4-7(16)5-8-11(6)15(20)13-10(18)3-2-9(17)12(13)14(8)19/h2-5,16-18H,1H3
- InChI Key： KODJTIOEJGOFJL-UHFFFAOYSA-N
- SMILES： O=C1C2C(=CC=C(C=2C(C2C=C(C=C(C)C=21)O)=O)O)O
Computed Properties
- Exact Mass: 270.05282342g/mol
- 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
1-Alkyl-3,5,8-trihydroxyanthraquinones; 3,5,8-Trihydroxy-1-methylanthraquinone Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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