Cas no 64451-78-1 (2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid)
![2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid structure](https://ossimg.kuujia.com/scimg/64500/64451-78-1x500.png)
64451-78-1 structure
Product Name:2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid
CAS No:64451-78-1
MF:C14H20O2
MW:220.307404518127
CID:499885
Update Time:2023-08-02
2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(1,1-dimethylpropyl)-a-methyl-
- Benzeneacetic acid, 4-(1,1-dimethylpropyl)--alpha--methyl- (9CI)
- 2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid
-
- Inchi： 1S/C14H20O2/c1-5-14(3,4)12-8-6-11(7-9-12)10(2)13(15)16/h6-10H,5H2,1-4H3,(H,15,16)
- InChI Key： JEFYGXDZTPYKDU-UHFFFAOYSA-N
- SMILES： OC(C(C)C1C=CC(=CC=1)C(C)(C)CC)=O
Computed Properties
- Exact Mass: 220.146
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 37.3
2-[4-(2-Methyl-2-butanyl)phenyl]propanoic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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