Cas no 54126-68-0 (1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]-)
![1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]- structure](https://ossimg.kuujia.com/scimg/54500/54126-68-0x500.png)
54126-68-0 structure
Product Name:1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]-
CAS No:54126-68-0
MF:C8H10ClNO3
MW:203.622901439667
CID:355460
PubChem ID:20483499
Update Time:2025-04-19
1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]-
- 3-(3-chloropyridin-2-yl)oxypropane-1,2-diol
- 3-[(3-Chloropyridin-2-yl)oxy]propane-1,2-diol
- 3-chloro-2-(2',3'-dihydroxy-propoxy)-pyridine
- WWAOSMWRXUSCOZ-UHFFFAOYSA-N
- 54126-68-0
- DTXSID30607869
- SCHEMBL11142452
-
- Inchi： 1S/C8H10ClNO3/c9-7-2-1-3-10-8(7)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2
- InChI Key： WWAOSMWRXUSCOZ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CN=C1OCC(CO)O
Computed Properties
- Exact Mass: 203.035
- Monoisotopic Mass: 203.0349209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 62.58
1,2-Propanediol, 3-[(3-chloro-2-pyridinyl)oxy]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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