Cas no 93981-37-4 (neo-Undecanoicacid, iron(2+) salt (9CI))
93981-37-4 structure
Product Name:neo-Undecanoicacid, iron(2+) salt (9CI)
CAS No:93981-37-4
MF:C22H42FeO4
MW:426.411489009857
CID:819212
PubChem ID:44147739
Update Time:2025-04-19
neo-Undecanoicacid, iron(2+) salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- neo-Undecanoicacid, iron(2+) salt (9CI)
- 8,8-dimethylnonanoate,iron(2+)
- iron(2+) neoundecanoate
- EINECS 301-121-4
- DTXSID00240085
- 93981-37-4
-
- Inchi： 1S/2C11H22O2.Fe/c2*1-11(2,3)9-7-5-4-6-8-10(12)13;/h2*4-9H2,1-3H3,(H,12,13);/q;;+2/p-2
- InChI Key： CHJURLJUIAJTRZ-UHFFFAOYSA-L
- SMILES： [Fe+2].[O-]C(CCCCCCC(C)(C)C)=O.[O-]C(CCCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 426.243
- Monoisotopic Mass: 426.243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 12
- Complexity: 139
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3A^2
neo-Undecanoicacid, iron(2+) salt (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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