Cas no 7596-64-7 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 6-oxo-1H-pyridine-2,3-dicarboxylic acid
- 6-Hydroxychinolinsaeure
- 6-Hydroxy-pyridin-2,3-dicarbonsaeure
- 6-hydroxypyridine-2,3-dicarboxylic acid
- 6-hydroxy-pyridine-2,3-dicarboxylic acid
- 6-hydroxyquinolinic acid
- AC1L88VS
- CTK2H9307
- NSC407242
- SureCN1520617
- DTXSID40324616
- NSC-407242
- SCHEMBL1520617
- 7596-64-7
-
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- Inchi: 1S/C7H5NO5/c9-4-2-1-3(6(10)11)5(8-4)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
- InChI Key: ZFPMYAUSXJJFFE-UHFFFAOYSA-N
- SMILES: O=C1C=CC(C(=O)O)=C(C(=O)O)N1
Computed Properties
- Exact Mass: 183.01675
- Monoisotopic Mass: 183.01677226g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 352
- 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: -0.8
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 103.7
- LogP: -0.22870
Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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