Cas no 93981-45-4 ((neononanoato-O)(neoundecanoato-O)iron)
93981-45-4 structure
Product Name:(neononanoato-O)(neoundecanoato-O)iron
CAS No:93981-45-4
MF:C19H38FeO4
MW:386.347628116608
CID:1984117
PubChem ID:56841408
Update Time:2025-04-21
(neononanoato-O)(neoundecanoato-O)iron Chemical and Physical Properties
Names and Identifiers
-
- (neononanoato-O)(neoundecanoato-O)iron
- 6,6-dimethylheptanoic acid,7,7-dimethyloctanoic acid,iron
- EINECS 301-130-3
- 93981-45-4
-
- Inchi： 1S/C10H20O2.C9H18O2.Fe/c1-10(2,3)8-6-4-5-7-9(11)12;1-9(2,3)7-5-4-6-8(10)11;/h4-8H2,1-3H3,(H,11,12);4-7H2,1-3H3,(H,10,11);
- InChI Key： MQRACIZSDZZLOU-UHFFFAOYSA-N
- SMILES： [Fe].OC(CCCCC(C)(C)C)=O.OC(CCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 386.211945Da
- Monoisotopic Mass: 386.211945Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 327
- 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: 74.6?2
(neononanoato-O)(neoundecanoato-O)iron Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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