Cas no 31460-03-4 (Propanoic acid, 2-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester)
31460-03-4 structure
Product Name:Propanoic acid, 2-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester
CAS No:31460-03-4
MF:C11H23O5P
MW:266.27108502388
CID:1447185
PubChem ID:11644679
Update Time:2025-04-20
Propanoic acid, 2-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester
- YMMCNZHNCAARBJ-UHFFFAOYSA-N
- SCHEMBL1278020
- tert-Butyl 2-(diethoxyphosphoryl)propanoate
- tert-Butyl 2-(diethylphosphono)propionate
- F95154
- Tert-butyl 2-diethoxyphosphorylpropanoate
- 31460-03-4
- 2-(diethylphosphono)propanoic acid tert-butyl ester
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- Inchi： 1S/C11H23O5P/c1-7-14-17(13,15-8-2)9(3)10(12)16-11(4,5)6/h9H,7-8H2,1-6H3
- InChI Key： YMMCNZHNCAARBJ-UHFFFAOYSA-N
- SMILES： P(C(C)C(=O)OC(C)(C)C)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 266.12839
- Monoisotopic Mass: 266.12831083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 285
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanoic acid, 2-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester Related Literature
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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