Cas no 821806-13-7 (1,2-Propanediol, 3-(4-pyridinyloxy)-, (2R)-)
821806-13-7 structure
Product Name:1,2-Propanediol, 3-(4-pyridinyloxy)-, (2R)-
CAS No:821806-13-7
MF:C8H11NO3
MW:169.177842378616
CID:696167
PubChem ID:15935383
Update Time:2025-04-19
1,2-Propanediol, 3-(4-pyridinyloxy)-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-(4-pyridinyloxy)-, (2R)-
- (2R)-3-pyridin-4-yloxypropane-1,2-diol
- 821806-13-7
- (2R)-3-[(Pyridin-4-yl)oxy]propane-1,2-diol
- SCHEMBL6493005
- DTXSID40579841
- (2R)-3-(PYRIDIN-4-YLOXY)PROPANE-1,2-DIOL
-
- Inchi： 1S/C8H11NO3/c10-5-7(11)6-12-8-1-3-9-4-2-8/h1-4,7,10-11H,5-6H2/t7-/m1/s1
- InChI Key： IKKZUFIWBUAHTM-SSDOTTSWSA-N
- SMILES： O(C1C=CN=CC=1)C[C@@H](CO)O
Computed Properties
- Exact Mass: 169.07389321g/mol
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 62.6?2
1,2-Propanediol, 3-(4-pyridinyloxy)-, (2R)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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