Cas no 62217-80-5 (Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester)
62217-80-5 structure
Product Name:Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester
CAS No:62217-80-5
MF:C9H21O5P
MW:240.23380446434
CID:454102
PubChem ID:71388723
Update Time:2025-04-19
Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester
- diethyl (3-hydroxy-2,2-dimethylpropyl) phosphate
- Diethyl 3-hydroxy-2,2-dimethylpropyl phosphate
- 62217-80-5
- DTXSID90810776
-
- Inchi： 1S/C9H21O5P/c1-5-12-15(11,13-6-2)14-8-9(3,4)7-10/h10H,5-8H2,1-4H3
- InChI Key： JMOPKMDKUKBLPB-UHFFFAOYSA-N
- SMILES： P(=O)(OCC)(OCC)OCC(C)(C)CO
Computed Properties
- Exact Mass: 240.11273
- Monoisotopic Mass: 240.11266076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
- LogP: 2.20260
Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
62217-80-5 (Phosphoric acid, diethyl 3-hydroxy-2,2-dimethylpropyl ester) Related Products
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