Cas no 3468-50-6 (3-Pyridinecarboxylic acid, 3-methylphenyl ester)
3468-50-6 structure
Product Name:3-Pyridinecarboxylic acid, 3-methylphenyl ester
CAS No:3468-50-6
MF:C13H11NO2
MW:213.231943368912
CID:1463644
PubChem ID:532681
Update Time:2025-04-20
3-Pyridinecarboxylic acid, 3-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 3-methylphenyl ester
- MLS001178589
- DTXSID701322034
- CHEMBL1881950
- Oprea1_680370
- HMS2848H16
- SR-01000393719-1
- (3-methylphenyl) pyridine-3-carboxylate
- AKOS001572494
- SR-01000393719
- 3468-50-6
- SMR000477261
- AN-652/11107342
- MFCD00991242
- 3-methylphenyl nicotinate
- Nicotinic acid, 3-methylphenyl ester
- BUSZXQBIIPQKMP-UHFFFAOYSA-N
-
- Inchi： 1S/C13H11NO2/c1-10-4-2-6-12(8-10)16-13(15)11-5-3-7-14-9-11/h2-9H,1H3
- InChI Key： BUSZXQBIIPQKMP-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=CC=1)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 213.07903
- Monoisotopic Mass: 213.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 39.2?2
Experimental Properties
- PSA: 39.19
3-Pyridinecarboxylic acid, 3-methylphenyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
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
3468-50-6 (3-Pyridinecarboxylic acid, 3-methylphenyl ester) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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