Cas no 86751-98-6 (2-Thiophenecarboxylic acid, 5-(2-propen-1-yl)-, methyl ester)
86751-98-6 structure
Product Name:2-Thiophenecarboxylic acid, 5-(2-propen-1-yl)-, methyl ester
CAS No:86751-98-6
MF:C9H10O2S
MW:182.239501476288
CID:2136813
Update Time:2023-08-04
2-Thiophenecarboxylic acid, 5-(2-propen-1-yl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- methyl 5-allylthiophene-2-carboxylate
- 2-Thiophenecarboxylic acid, 5-(2-propen-1-yl)-, methyl ester
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- Inchi： 1S/C9H10O2S/c1-3-4-7-5-6-8(12-7)9(10)11-2/h3,5-6H,1,4H2,2H3
- InChI Key： NBWDZDLGLVFMQH-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CC=C1CC=C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 179
- Topological Polar Surface Area: 54.5
2-Thiophenecarboxylic acid, 5-(2-propen-1-yl)-, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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