Cas no 154629-11-5 (methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate)
154629-11-5 structure
Product Name:methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate
CAS No:154629-11-5
MF:C11H10O3S
MW:222.260302066803
CID:1329211
Update Time:2024-08-18
methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate
- Methyl-4-(hydroxymethyl)-1-benzothiophen-2-carboxylat
- LogP
- Methyl-4-(hydroxymethyl)-1-benzothiophen-2-carboxylat; LogP
- Benzo[b]thiophene-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester
-
- Inchi: 1S/C11H10O3S/c1-14-11(13)10-5-8-7(6-12)3-2-4-9(8)15-10/h2-5,12H,6H2,1H3
- InChI Key: NNHOWHKLEQOLII-UHFFFAOYSA-N
- SMILES: C12=CC=CC(CO)=C1C=C(C(OC)=O)S2
Computed Properties
- Exact Mass: 222.0351
Experimental Properties
- Density: 1.349±0.06 g/cm3(Predicted)
- Boiling Point: 393.0±27.0 °C(Predicted)
- PSA: 46.53
- pka: 14.09±0.10(Predicted)
methyl 4-(hydroxymethyl)-1-benzothiophene-2-carboxylate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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