Cas no 52839-61-9 (2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo-)
52839-61-9 structure
Product Name:2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo-
CAS No:52839-61-9
MF:C17H8O8
MW:340.24062538147
CID:358662
PubChem ID:4125339
Update Time:2025-04-19
2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo-
- 9,10-dioxoanthracene-2,3,6-tricarboxylic acid
- 2,3,6-tricarboxyanthraquinone
- 52839-61-9
- DTXSID50399597
-
- Inchi： 1S/C17H8O8/c18-13-7-2-1-6(15(20)21)3-8(7)14(19)10-5-12(17(24)25)11(16(22)23)4-9(10)13/h1-5H,(H,20,21)(H,22,23)(H,24,25)
- InChI Key： VMNYDODLIFMAMS-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C(=O)O)C=CC=2C(C2C=C(C(=O)O)C(C(=O)O)=CC=21)=O
Computed Properties
- Exact Mass: 340.02184
- Monoisotopic Mass: 340.02191721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 653
- 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: 1.4
- Topological Polar Surface Area: 146?2
Experimental Properties
- PSA: 146.04
2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
52839-61-9 (2,3,6-Anthracenetricarboxylic acid, 9,10-dihydro-9,10-dioxo-) Related Products
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