Cas no 126727-55-7 (3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide)
126727-55-7 structure
Product Name:3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide
CAS No:126727-55-7
MF:C7H7NO3
MW:153.135381937027
CID:103346
PubChem ID:2752402
Update Time:2025-04-18
3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide
- 3-Pyridinecarboxylicacid,4-methyl-,1-oxide(9CI)
- 4-methyl-1-oxidopyridin-1-ium-3-carboxylic acid
- 3-carboxy-4-methylpyridine 1-oxide
- SCHEMBL4881052
- 126727-55-7
- DTXSID80372898
- AKOS004907419
-
- Inchi： 1S/C7H7NO3/c1-5-2-3-8(11)4-6(5)7(9)10/h2-4H,1H3,(H,9,10)
- InChI Key： SMQYLNRRXBBILH-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(C)=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 153.04261
- Monoisotopic Mass: 153.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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: -0.3
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- PSA: 64.24
3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
126727-55-7 (3-Pyridinecarboxylicacid, 4-methyl-, 1-oxide) Related Products
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