Cas no 89687-49-0 (Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)-)
![Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)- structure](https://ossimg.kuujia.com/scimg/90000/89687-49-0x500.png)
89687-49-0 structure
Product Name:Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)-
CAS No:89687-49-0
MF:C11H10O2S
MW:206.260901927948
CID:592222
Update Time:2023-08-03
Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)- Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene-3-acetic acid, a-methyl-, (R)-
- Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)-
- [R,(?)]-alpha-Methyl-3-benzo[b]thiopheneacetic acid
-
- Inchi： 1S/C11H10O2S/c1-7(11(12)13)9-6-14-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,12,13)/t7-/m1/s1
- InChI Key： MRCGBWUBNYAJRY-SSDOTTSWSA-N
- SMILES： S1C=C(C2C=CC=CC1=2)[C@H](C(=O)O)C
Computed Properties
- Exact Mass: 206.04
- Monoisotopic Mass: 206.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.5
Benzo[b]thiophene-3-acetic acid, alpha-methyl-, (alphaR)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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