Cas no 61415-82-5 (2,3-Anthracenedicarboxylic acid, 5-amino-)
61415-82-5 structure
Product Name:2,3-Anthracenedicarboxylic acid, 5-amino-
CAS No:61415-82-5
MF:C16H11NO4
MW:281.262844324112
CID:480317
PubChem ID:11044191
Update Time:2025-04-19
2,3-Anthracenedicarboxylic acid, 5-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Anthracenedicarboxylic acid, 5-amino-
- 5-aminoanthracene-2,3-dicarboxylic acid
- DTXSID90453162
- 61415-82-5
-
- Inchi： 1S/C16H11NO4/c17-14-3-1-2-8-4-9-6-12(15(18)19)13(16(20)21)7-10(9)5-11(8)14/h1-7H,17H2,(H,18,19)(H,20,21)
- InChI Key： HURKBRDECOQAMJ-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CC2=CC3C=CC=C(C=3C=C2C=1)N)=O
Computed Properties
- Exact Mass: 281.06883
- Monoisotopic Mass: 281.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 438
- 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: 101?2
Experimental Properties
- PSA: 100.62
2,3-Anthracenedicarboxylic acid, 5-amino- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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