Cas no 821806-12-6 (1,2-Propanediol, 3-(2-pyridinyloxy)-, (2R)-)
821806-12-6 structure
Product Name:1,2-Propanediol, 3-(2-pyridinyloxy)-, (2R)-
CAS No:821806-12-6
MF:C8H11NO3
MW:169.177842378616
CID:696168
PubChem ID:15935382
Update Time:2025-04-19
1,2-Propanediol, 3-(2-pyridinyloxy)-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-(2-pyridinyloxy)-, (2R)-
- (2R)-3-pyridin-2-yloxypropane-1,2-diol
- SCHEMBL6491397
- (2R)-3-[(Pyridin-2-yl)oxy]propane-1,2-diol
- DTXSID80579840
- 821806-12-6
-
- Inchi： 1S/C8H11NO3/c10-5-7(11)6-12-8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2/t7-/m1/s1
- InChI Key： RXSMKUFIMVNGIR-SSDOTTSWSA-N
- SMILES： O(C1C=CC=CN=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: 121
- 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: 0.1
- Topological Polar Surface Area: 62.6?2
1,2-Propanediol, 3-(2-pyridinyloxy)-, (2R)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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