Cas no 3450-63-3 (Phosphonic acid, (2-oxohexyl)-, diethyl ester)
3450-63-3 structure
Product Name:Phosphonic acid, (2-oxohexyl)-, diethyl ester
CAS No:3450-63-3
MF:C10H21O4P
MW:236.245104551315
CID:1462883
PubChem ID:10977428
Update Time:2025-04-20
Phosphonic acid, (2-oxohexyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, (2-oxohexyl)-, diethyl ester
- 1-diethoxyphosphorylhexan-2-one
- DTXSID40450525
- 6-(diethoxyphosphoryl)hexan-5-one
- 1-diethoxyphosphoryl-hexan-2-one
- 3450-63-3
- diethyl 2-oxohexylphosphonate
-
- Inchi： 1S/C10H21O4P/c1-4-7-8-10(11)9-15(12,13-5-2)14-6-3/h4-9H2,1-3H3
- InChI Key： WGOUPXCQELLICT-UHFFFAOYSA-N
- SMILES： P(CC(CCCC)=O)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 236.11783
- Monoisotopic Mass: 236.11774614g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 218
- 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: 1.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 3.01180
Phosphonic acid, (2-oxohexyl)-, diethyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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