Cas no 7442-76-4 (4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-)
7442-76-4 structure
Product Name:4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-
4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-
- 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid
- 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
- Isonicotinic acid, 5-formyl-3-hydroxy-2-methyl-
- AKOS006313651
- 5-Formyl-3-hydroxy-2-methylisonicotinic acid
- SCHEMBL14575607
- 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
- 5-Formyl-3-hydroxy-2-methylisonicotinic acid #
- DTXSID30331536
- JTWNWNJMNSJYDL-UHFFFAOYSA-N
- C06050
- CHEBI:28038
- 7442-76-4
-
- Inchi： 1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
- InChI Key： JTWNWNJMNSJYDL-UHFFFAOYSA-N
- SMILES： OC1C(C)=NC=C(C=O)C=1C(=O)O
Computed Properties
- Exact Mass: 181.03751
- Monoisotopic Mass: 181.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 0.4
- Topological Polar Surface Area: 87.5?2
Experimental Properties
- PSA: 87.49
4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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