Cas no 71241-94-6 (Cajaquinone)
Cajaquinone structure
Product Name:Cajaquinone
CAS No:71241-94-6
MF:C16H12O5
MW:284.263484954834
CID:2039648
PubChem ID:85977017
Update Time:2025-04-21
Cajaquinone Chemical and Physical Properties
Names and Identifiers
-
- Cajaquinone
- DTXSID101212055
- 3,7-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione
- 3,7-Dihydroxy-1-methoxy-6-methylanthraquinone
- 3,7-Dihydroxy-1-methoxy-6-methyl-9,10-anthracenedione
- 71241-94-6
- CHEBI:174710
-
- Inchi： 1S/C16H12O5/c1-7-3-9-10(6-12(7)18)16(20)14-11(15(9)19)4-8(17)5-13(14)21-2/h3-6,17-18H,1-2H3
- InChI Key： LKVVBLXHWZXDHZ-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC2C(C3C=C(C)C(=CC=3C(C=21)=O)O)=O)O
Computed Properties
- Exact Mass: 284.06847348g/mol
- Monoisotopic Mass: 284.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 448
- 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: 2.5
- Topological Polar Surface Area: 83.8?2
Cajaquinone Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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