Cas no 76865-50-4 (2-Thiophenecarboxylic acid, 5-(4-hydroxybutyl)-, methyl ester)
76865-50-4 structure
Product Name:2-Thiophenecarboxylic acid, 5-(4-hydroxybutyl)-, methyl ester
CAS No:76865-50-4
MF:C10H14O3S
MW:214.281362056732
CID:537109
PubChem ID:14796144
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(4-hydroxybutyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(4-hydroxybutyl)-, methyl ester
- methyl 5-(4-hydroxybutyl)thiophene-2-carboxylate
- 5-(4-Hydroxy-butyl)-thiophene-2-carboxylic acid methyl ester
- FT-0757509
- SCHEMBL2162982
- IRSZDKUKIGUCOP-UHFFFAOYSA-N
- 76865-50-4
- DTXSID30564165
-
- Inchi： 1S/C10H14O3S/c1-13-10(12)9-6-5-8(14-9)4-2-3-7-11/h5-6,11H,2-4,7H2,1H3
- InChI Key： IRSZDKUKIGUCOP-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CC=C1CCCCO
Computed Properties
- Exact Mass: 214.06642
- Monoisotopic Mass: 214.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 46.53
2-Thiophenecarboxylic acid, 5-(4-hydroxybutyl)-, methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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