Cas no 54530-64-2 (3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy-)
54530-64-2 structure
Product Name:3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy-
CAS No:54530-64-2
MF:C13H11NO3
MW:229.231343507767
CID:354330
PubChem ID:15687065
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy-
- 6-methyl-2-phenoxypyridine-3-carboxylic acid
- AKOS011998048
- 54530-64-2
- 6-Methyl-2-phenoxynicotinic acid, AldrichCPR
- SCHEMBL11553992
- DTXSID30576889
-
- Inchi： 1S/C13H11NO3/c1-9-7-8-11(13(15)16)12(14-9)17-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
- InChI Key： GSNZRPQYFQBNNX-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C(C(=O)O)=CC=C(C)N=1
Computed Properties
- Exact Mass: 229.07393
- Monoisotopic Mass: 229.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 263
- 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: 2.6
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 59.42
3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
54530-64-2 (3-Pyridinecarboxylic acid, 6-methyl-2-phenoxy-) Related Products
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