Cas no 71502-30-2 (3-hydroxy-2,6-Pyridinedicarboxylic acid)
71502-30-2 structure
Product Name:3-hydroxy-2,6-Pyridinedicarboxylic acid
CAS No:71502-30-2
MF:C7H5NO5
MW:183.118302106857
CID:2129891
PubChem ID:19989386
Update Time:2025-04-21
3-hydroxy-2,6-Pyridinedicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-2,6-Pyridinedicarboxylic acid
- 3-hydroxypyridine-2,6-dicarboxylic acid
- DA-18838
- DTXSID50601708
- 71502-30-2
- SCHEMBL8834235
-
- Inchi： 1S/C7H5NO5/c9-4-2-1-3(6(10)11)8-5(4)7(12)13/h1-2,9H,(H,10,11)(H,12,13)
- InChI Key： RQXYTYCPWGTGHN-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C(=O)O)N=C1C(=O)O
Computed Properties
- Exact Mass: 183.01677226Da
- Monoisotopic Mass: 183.01677226Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 108?2
Experimental Properties
- Density: 1.725±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 250 oC (approx)
- Solubility: Dissolution (70 g/l) (25 o C),
3-hydroxy-2,6-Pyridinedicarboxylic acid Related Literature
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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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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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