Cas no 216059-90-4 (Benzoic acid,4-(2-methyl-4-pyridinyl)-)
216059-90-4 structure
Product Name:Benzoic acid,4-(2-methyl-4-pyridinyl)-
CAS No:216059-90-4
MF:C13H9NO4
MW:243.214863538742
CID:243229
PubChem ID:33695747
Update Time:2025-04-19
Benzoic acid,4-(2-methyl-4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(2-methyl-4-pyridinyl)-
- 4-(2-CARBOXYPYRIDIN-4-YL)BENZOIC ACID
- 4-(2-methylpyridin-4-yl)benzoic acid
- 4-(4-carboxyphenyl)pyridine-2-carboxylic acid
- Benzoic acid,4-(2-methyl-4-pyridinyl)
- DTXSID00652821
- 914207-73-1
- 4-(4-CARBOXYPHENYL)PICOLINIC ACID
- MFCD08690698
- 216059-90-4
-
- Inchi： 1S/C13H9NO4/c15-12(16)9-3-1-8(2-4-9)10-5-6-14-11(7-10)13(17)18/h1-7H,(H,15,16)(H,17,18)
- InChI Key： WAYLQVWVRREMCZ-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)C1C=CN=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 243.05300
- Monoisotopic Mass: 243.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 323
- 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: 1.9
- Topological Polar Surface Area: 87.5?2
Experimental Properties
- PSA: 87.49000
- LogP: 2.14500
Benzoic acid,4-(2-methyl-4-pyridinyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
216059-90-4 (Benzoic acid,4-(2-methyl-4-pyridinyl)-) Related Products
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