Cas no 79451-33-5 (4-Pyridinecarboxylicacid, 3-(acetyloxy)-)
79451-33-5 structure
Product Name:4-Pyridinecarboxylicacid, 3-(acetyloxy)-
CAS No:79451-33-5
MF:C8H7NO4
MW:181.145482301712
CID:574034
PubChem ID:157520
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 3-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 3-(acetyloxy)-
- 3-acetyloxypyridine-4-carboxylic acid
- 79451-33-5
- 4-Pyridinecarboxylic acid, 3-(acetyloxy)-
- DTXSID40229677
-
- Inchi： 1S/C8H7NO4/c1-5(10)13-7-4-9-3-2-6(7)8(11)12/h2-4H,1H3,(H,11,12)
- InChI Key： TYOOQRTYNDVPMZ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=NC=CC=1C(=O)O
Computed Properties
- Exact Mass: 181.038
- Monoisotopic Mass: 181.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 216
- 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: 0.1
- Topological Polar Surface Area: 76.5?2
Experimental Properties
- Density: 1.363
- Boiling Point: 432.5°C at 760 mmHg
- Flash Point: 215.4°C
- Refractive Index: 1.554
4-Pyridinecarboxylicacid, 3-(acetyloxy)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
79451-33-5 (4-Pyridinecarboxylicacid, 3-(acetyloxy)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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