Cas no 59276-82-3 (Phosphonic acid, [(2,3-dimethoxyphenyl)methyl]-, diethyl ester)
59276-82-3 structure
Product Name:Phosphonic acid, [(2,3-dimethoxyphenyl)methyl]-, diethyl ester
CAS No:59276-82-3
MF:C13H21O5P
MW:288.276605367661
CID:339301
PubChem ID:71443055
Update Time:2025-04-19
Phosphonic acid, [(2,3-dimethoxyphenyl)methyl]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- Phosphonic acid, [(2,3-dimethoxyphenyl)methyl]-, diethyl ester
- 1-(diethoxyphosphorylmethyl)-2,3-dimethoxybenzene
- Diethyl [(2,3-dimethoxyphenyl)methyl]phosphonate
- 59276-82-3
- DTXSID90851902
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- Inchi: 1S/C13H21O5P/c1-5-17-19(14,18-6-2)10-11-8-7-9-12(15-3)13(11)16-4/h7-9H,5-6,10H2,1-4H3
- InChI Key: BHSJQPWZQKYXCB-UHFFFAOYSA-N
- SMILES: P(CC1C=CC=C(C=1OC)OC)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 288.11273
- Monoisotopic Mass: 288.11266076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 287
- 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: 1.6
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99
Phosphonic acid, [(2,3-dimethoxyphenyl)methyl]-, 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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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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