Cas no 26071-14-7 (2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-)
26071-14-7 structure
Product Name:2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-
CAS No:26071-14-7
MF:C17H12O8
MW:344.272385597229
CID:262701
PubChem ID:71358705
Update Time:2025-04-19
2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- Chemical and Physical Properties
Names and Identifiers
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- 2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo-
- 1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
- 2-Anthroicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- (8CI)
- Dermorubin
- 3-methyl-1,4,6-trihydroxy-8-methoxy-anthraquinone-2-carboxylic acid
- 1,4,6-TRIHYDROXY-8-METHOXY-3-METHYL-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
- SCHEMBL23522382
- 26071-14-7
- DTXSID80782670
-
- Inchi: 1S/C17H12O8/c1-5-9(17(23)24)15(21)12-11(13(5)19)14(20)7-3-6(18)4-8(25-2)10(7)16(12)22/h3-4,18-19,21H,1-2H3,(H,23,24)
- InChI Key: QBBMNZABHFBDGG-UHFFFAOYSA-N
- SMILES: OC1=C(C)C(C(=O)O)=C(C2C(C3C(=CC(=CC=3C(C=21)=O)O)OC)=O)O
Computed Properties
- Exact Mass: 344.05316
- Monoisotopic Mass: 344.05321734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 589
- 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: 2.8
- Topological Polar Surface Area: 141?2
Experimental Properties
- PSA: 141.36
2-Anthracenecarboxylicacid, 9,10-dihydro-1,4,6-trihydroxy-8-methoxy-3-methyl-9,10-dioxo- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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