Cas no 62756-46-1 (3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride)
62756-46-1 structure
Product Name:3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride
CAS No:62756-46-1
MF:C8H10FNO2
MW:171.168905735016
CID:432413
PubChem ID:19816588
Update Time:2025-04-19
3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride
- ethyl pyridine-3-carboxylate,hydrofluoride
- 62756-46-1
- DTXSID00600261
- Ethyl pyridine-3-carboxylate--hydrogen fluoride (1/1)
- SCHEMBL11484012
-
- Inchi： 1S/C8H9NO2.FH/c1-2-11-8(10)7-4-3-5-9-6-7;/h3-6H,2H2,1H3;1H
- InChI Key： ISFRWJNHZDPKBV-UHFFFAOYSA-N
- SMILES： F.O(C(C1C=NC=CC=1)=O)CC
Computed Properties
- Exact Mass: 171.0696
- Monoisotopic Mass: 171.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 136
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
62756-46-1 (3-Pyridinecarboxylic acid, ethyl ester, hydrofluoride) Related Products
- 29681-45-6(methyl 5-methylpyridine-3-carboxylate)
- 20826-02-2(Ethyl 5-methylnicotinate)
- 4591-55-3(Dimethyl 3,5-Pyridinedicarboxylate)
- 4591-56-4(Diethyl 3,5-pyridinedicarboxylate)
- 16837-38-0(Nicotinic anhydride)
- 5027-65-6(5-methoxycarbonylpyridine-3-carboxylic acid)
- 614-18-6(ethyl pyridine-3-carboxylate)
- 553-60-6(propan-2-yl pyridine-3-carboxylate)
- 93-60-7(Methyl nicotinate)
- 94-44-0(Benzyl nicotinate)
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