Cas no 78774-94-4 (3-Pyridinehexanoic acid, hydrochloride)
78774-94-4 structure
Product Name:3-Pyridinehexanoic acid, hydrochloride
CAS No:78774-94-4
MF:C11H16ClNO2
MW:229.703242301941
CID:533865
PubChem ID:12904561
Update Time:2025-04-19
3-Pyridinehexanoic acid, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinehexanoic acid, hydrochloride
- 6-pyridin-3-ylhexanoic acid,hydrochloride
- CHEMBL557796
- 6-(Pyridin-3-yl)hexanoic acid--hydrogen chloride (1/1)
- DTXSID00512613
- 78774-94-4
-
- Inchi： 1S/C11H15NO2.ClH/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10;/h4,6,8-9H,1-3,5,7H2,(H,13,14);1H
- InChI Key： FIWANLOYUBGUGO-UHFFFAOYSA-N
- SMILES： Cl.OC(CCCCCC1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 229.0869564g/mol
- Monoisotopic Mass: 229.0869564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 171
- 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: 50.2?2
3-Pyridinehexanoic acid, hydrochloride Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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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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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
78774-94-4 (3-Pyridinehexanoic acid, hydrochloride) 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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