Cas no 71845-01-7 ((3S)-3-Phenylheptanoic acid)
(3S)-3-Phenylheptanoic acid structure
Product Name:(3S)-3-Phenylheptanoic acid
CAS No:71845-01-7
MF:C13H18O2
MW:206.280824184418
CID:545003
Update Time:2023-08-03
(3S)-3-Phenylheptanoic acid Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, b-propyl-, (S)-
- (3S)-3-phenylheptanoic acid
- [S,(+)]-3-Phenylheptanoic acid
- (3S)-3-Phenylheptanoic acid
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- Inchi: 1S/C13H18O2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1
- InChI Key: YEUNYNJOKMJRMC-LBPRGKRZSA-N
- SMILES: OC(C[C@@H](C1C=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
- XLogP3: 3.8
- Topological Polar Surface Area: 37.3
(3S)-3-Phenylheptanoic acid Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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