Cas no 65043-08-5 (Butanoic acid, 4-(diethoxyphosphinyl)-3-oxo-, ethyl ester)
65043-08-5 structure
Product Name:Butanoic acid, 4-(diethoxyphosphinyl)-3-oxo-, ethyl ester
CAS No:65043-08-5
MF:C10H19O6P
MW:266.228024721146
CID:409439
PubChem ID:11129233
Update Time:2025-04-19
Butanoic acid, 4-(diethoxyphosphinyl)-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(diethoxyphosphinyl)-3-oxo-, ethyl ester
- ethyl 4-diethoxyphosphoryl-3-oxobutanoate
- 65043-08-5
- DTXSID00456301
- 4-(Diethoxyphosphinyl)-3-oxobutanoic acid, ethyl ester
- MBPHQJJVEFKYJJ-UHFFFAOYSA-N
- ethyl 4-(diethoxyphosphoryl)-3-oxobutanoate
- SCHEMBL16859605
-
- Inchi： 1S/C10H19O6P/c1-4-14-10(12)7-9(11)8-17(13,15-5-2)16-6-3/h4-8H2,1-3H3
- InChI Key： MBPHQJJVEFKYJJ-UHFFFAOYSA-N
- SMILES： P(CC(CC(=O)OCC)=O)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 266.09197
- Monoisotopic Mass: 266.09192532g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 291
- 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: 0.3
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
Butanoic acid, 4-(diethoxyphosphinyl)-3-oxo-, ethyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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