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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,4-dihydroxy-6,7-dimethoxy-3-methyl-9,10-dioxo-anthracene-2-carboxylic acid , 1,4-dihydroxy-6,7-dimethoxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid , 1,4-dihydroxy-6,7-dimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid , 6,7-dimethoxy-3-methyl-1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid , 1,4-dihydroxy-9,10-diketo-6,7-dimethoxy-3-methyl-anthracene-2-carboxylic acid
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| Smiles: |
COc1cc2c(cc1OC)C(=O)c1c(C2=O)c(O)c(c(c1O)C)C(=O)O
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| InChi : |
InChI=1S/C18H14O8/c1-6-11(18(23)24)17(22)13-12(14(6)19)15(20)7-4-9(25-2)10(26-3)5-8(7)16(13)21/h4-5,19,22H,1-3H3,(H,23,24)
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| InChi Key : |
InChIKey=YPTILGBPXYYBCV-UHFFFAOYSA-N
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| PubChem ID : |
53438729
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.224108
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| Hydrogen bond donor count : |
3
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Electric dipole moment : |
4.200
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| XLogP : |
0.829
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VDW volume : |
307.608491
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| Molecular weight : |
358.068867
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HOMO-LUMO gap : |
7.157000
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| Herb list : |
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| Refrences & Litretures: |
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