Cas no 116060-91-4 (2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)-)
116060-91-4 structure
Product Name:2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)-
CAS No:116060-91-4
MF:C14H11NO3
MW:241.242043733597
CID:1206027
PubChem ID:10331901
Update Time:2025-04-20
2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)-
- 3-(4-methylbenzoyl)pyridine-2-carboxylic acid
- 2-pyridinecarboxylic acid,3-(4-methylbenzoyl)-
- DTXSID90438257
- ADEXTNXECYSAKO-UHFFFAOYSA-N
- 3-(4-methylbenzoyl)-2-pyridinecarboxylic acid
- 116060-91-4
- SCHEMBL6987666
-
- Inchi： 1S/C14H11NO3/c1-9-4-6-10(7-5-9)13(16)11-3-2-8-15-12(11)14(17)18/h2-8H,1H3,(H,17,18)
- InChI Key： ADEXTNXECYSAKO-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CN=C1C(=O)O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 241.07393
- Monoisotopic Mass: 241.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 321
- 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: 2.4
- Topological Polar Surface Area: 67.3?2
Experimental Properties
- PSA: 67.26
2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)- 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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
116060-91-4 (2-Pyridinecarboxylic acid, 3-(4-methylbenzoyl)-) Related Products
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