Cas no 1310427-92-9 (4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid)
![4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid structure](https://ossimg.kuujia.com/scimg/1310500/1310427-92-9x500.png)
1310427-92-9 structure
Product Name:4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid
CAS No:1310427-92-9
MF:C18H16O2S
MW:296.383443832397
CID:2152575
Update Time:2023-08-05
4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(5-phenylbenzo[b]thiophen-3-yl)butanoic acid
- 4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid
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- Inchi： 1S/C18H16O2S/c19-18(20)8-4-7-15-12-21-17-10-9-14(11-16(15)17)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,19,20)
- InChI Key： QAHUKUVYNAQQIX-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=C(C3C=CC=CC=3)C=CC1=2)CCCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 351
- Topological Polar Surface Area: 65.5
4-(5-Phenylbenzo[b]thiophen-3-yl)butanoic acid Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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