Cas no 225917-33-9 ((S)-2-Benzylhexanoic acid)
(S)-2-Benzylhexanoic acid structure
Product Name:(S)-2-Benzylhexanoic acid
CAS No:225917-33-9
MF:C13H18O2
MW:206.280824184418
CID:2663354
Update Time:2023-08-06
(S)-2-Benzylhexanoic acid Chemical and Physical Properties
Names and Identifiers
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- (S)-2-BENZYLHEXANOIC ACID
- (S)-2-Benzylhexanoic acid
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- Inchi： 1S/C13H18O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)/t12-/m0/s1
- InChI Key： NQQBWCDFWBAYBJ-LBPRGKRZSA-N
- SMILES： OC([C@H](CC1C=CC=CC=1)CCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- Topological Polar Surface Area: 37.3
(S)-2-Benzylhexanoic acid Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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