Cas no 33225-60-4 (2-Propan-1,1,1,2-d4-ol(9CI))
2-Propan-1,1,1,2-d4-ol(9CI) structure
Product Name:2-Propan-1,1,1,2-d4-ol(9CI)
2-Propan-1,1,1,2-d4-ol(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Propan-1,1,1,2-d4-ol(9CI)
- Isopropyl-1,2,2,2-d4alcohol (8CI)
- 33225-60-4
- ISO-PROPYL-1,1,1,2-D4 ALCOHOL
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- Inchi： 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,3D
- InChI Key： KFZMGEQAYNKOFK-VYMTUXDUSA-N
- SMILES： OC([2H])(C)C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 64.083
- Monoisotopic Mass: 64.083
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 10.8
- 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
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 0.3
Experimental Properties
- PSA: 20.23000
- LogP: 0.38710
2-Propan-1,1,1,2-d4-ol(9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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