Cas no 25186-77-0 (2-Anthracenecarboxylicacid, 9,10-dihydro-4-hydroxy-9,10-dioxo-)
25186-77-0 structure
Product Name:2-Anthracenecarboxylicacid, 9,10-dihydro-4-hydroxy-9,10-dioxo-
CAS No:25186-77-0
MF:C15H8O5
MW:268.221024513245
CID:258555
PubChem ID:179447
Update Time:2025-04-19
2-Anthracenecarboxylicacid, 9,10-dihydro-4-hydroxy-9,10-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Anthracenecarboxylicacid, 9,10-dihydro-4-hydroxy-9,10-dioxo-
- DTXSID90179855
- Pachybasic acid
- 2-Anthraquinonecarboxylic acid, 4-hydroxy-
- 25186-77-0
- 4-hydroxy-2-carboxyanthraquinone
- CHEMBL3884123
- SCHEMBL8197780
-
- Inchi： 1S/C15H8O5/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,(H,19,20)
- InChI Key： ICBHXKIMYNFEIB-UHFFFAOYSA-N
- SMILES： OC1=CC(C(=O)O)=CC2C(C3C=CC=CC=3C(C=21)=O)=O
Computed Properties
- Exact Mass: 268.03714
- Monoisotopic Mass: 268.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 457
- 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: 3.1
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- Density: 1.577
- Boiling Point: 560.2°C at 760 mmHg
- Flash Point: 306.7°C
- Refractive Index: 1.724
- PSA: 91.67
- LogP: 1.86580
2-Anthracenecarboxylicacid, 9,10-dihydro-4-hydroxy-9,10-dioxo- Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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