Cas no 654640-58-1 (3-Pyridinepropanoic acid hydrochloride)
654640-58-1 structure
Product Name:3-Pyridinepropanoic acid hydrochloride
CAS No:654640-58-1
MF:C8H10ClNO2
MW:187.623501300812
CID:399093
PubChem ID:66648902
Update Time:2025-04-19
3-Pyridinepropanoic acid hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinepropanoic acid hydrochloride
- 3-pyridin-3-ylpropanoic acid,hydrochloride
- XBKWWUVPSYJONP-UHFFFAOYSA-N
- 3-(3-pyridyl)propionic acid hydrochloride
- DTXSID90735511
- SCHEMBL305976
- 3-(Pyridin-3-yl)propanoic acid--hydrogen chloride (1/1)
- 654640-58-1
-
- Inchi： 1S/C8H9NO2.ClH/c10-8(11)4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2,(H,10,11);1H
- InChI Key： XBKWWUVPSYJONP-UHFFFAOYSA-N
- SMILES： Cl.OC(CCC1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 187.0400063g/mol
- Monoisotopic Mass: 187.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- 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: 50.2?2
3-Pyridinepropanoic acid hydrochloride Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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