Cas no 126824-46-2 ((2R)-3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol)
126824-46-2 structure
Product Name:(2R)-3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol
CAS No:126824-46-2
MF:C12H18O4
MW:226.268924236298
CID:6642661
PubChem ID:10900317
Update Time:2024-01-29
(2R)-3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- H-93/82, (R)-
- (2R)-3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol
- 1543UEJ26C
- 126824-46-2
- Q27251686
- UNII-1543UEJ26C
- (R)-H-93/82
- 1,2-Propanediol, 3-(4-(2-methoxyethyl)phenoxy)-, (2R)-
-
- Inchi： 1S/C12H18O4/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3/t11-/m1/s1
- InChI Key： MELFVOGWPJFQBB-LLVKDONJSA-N
- SMILES： O(C1C=CC(=CC=1)CCOC)C[C@@H](CO)O
Computed Properties
- Exact Mass: 226.12050905g/mol
- Monoisotopic Mass: 226.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 166
- 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: 0.8
- Topological Polar Surface Area: 58.9?2
(2R)-3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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