Cas no 27771-09-1 ((2R)-2-Benzyl-2,3-dimethylbutanoic acid)
27771-09-1 structure
Product Name:(2R)-2-Benzyl-2,3-dimethylbutanoic acid
CAS No:27771-09-1
MF:C13H18O2
MW:206.280824184418
CID:2661794
Update Time:2023-08-06
(2R)-2-Benzyl-2,3-dimethylbutanoic acid Chemical and Physical Properties
Names and Identifiers
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- (R)-2-Benzyl-2,3-dimethylbutyric acid
- (2R)-2-Benzyl-2,3-dimethylbutanoic acid
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- Inchi： 1S/C13H18O2/c1-10(2)13(3,12(14)15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,15)/t13-/m1/s1
- InChI Key： HHYUSUWCEGGVAG-CYBMUJFWSA-N
- SMILES： OC([C@](C)(CC1C=CC=CC=1)C(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 217
- Topological Polar Surface Area: 37.3
(2R)-2-Benzyl-2,3-dimethylbutanoic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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