Cas no 501441-81-2 (2-Thiophenecarboxylic acid, 5-(1-hydroxyethyl)-, methyl ester)
501441-81-2 structure
Product Name:2-Thiophenecarboxylic acid, 5-(1-hydroxyethyl)-, methyl ester
CAS No:501441-81-2
MF:C8H10O3S
MW:186.228201389313
CID:1566032
PubChem ID:67485115
Update Time:2025-04-21
2-Thiophenecarboxylic acid, 5-(1-hydroxyethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(1-hydroxyethyl)-, methyl ester
- F96641
- 501441-81-2
- SCHEMBL2654349
- methyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
-
- Inchi： 1S/C8H10O3S/c1-5(9)6-3-4-7(12-6)8(10)11-2/h3-5,9H,1-2H3
- InChI Key： IUJWQHYKTGGLKS-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CC=C1C(C)O
Computed Properties
- Exact Mass: 186.0351
- Monoisotopic Mass: 186.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 46.53
2-Thiophenecarboxylic acid, 5-(1-hydroxyethyl)-, methyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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