Cas no 1226150-02-2 (2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid)
1226150-02-2 structure
Product Name:2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid
CAS No:1226150-02-2
MF:C14H13NO2
MW:227.258523702621
CID:2618054
PubChem ID:52983892
Update Time:2025-04-21
2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid
- 1226150-02-2
- DTXSID80680748
- 2-(3,5-DIMETHYLPHENYL)ISONICOTINIC ACID
- MFCD16314258
- 2-(3,5-Dimethylphenyl)isonicotinic acid, 95%
-
- Inchi： 1S/C14H13NO2/c1-9-5-10(2)7-12(6-9)13-8-11(14(16)17)3-4-15-13/h3-8H,1-2H3,(H,16,17)
- InChI Key： DBAFDZYMAIUTBE-UHFFFAOYSA-N
- SMILES： OC(C1C=CN=C(C=1)C1C=C(C)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 227.094628657Da
- Monoisotopic Mass: 227.094628657Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 269
- 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: 3.1
- Topological Polar Surface Area: 50.2?2
2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
1226150-02-2 (2-(3,5-dimethylphenyl)pyridine-4-carboxylic acid) Related Products
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