Cas no 88962-13-4 (2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)-)
88962-13-4 structure
Product Name:2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)-
CAS No:88962-13-4
MF:C9H12O3S
MW:200.254781723022
CID:618062
PubChem ID:19809069
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)-
- 5-(3-hydroxybutyl)thiophene-2-carboxylic acid
- LLIXWOGVCHHOTC-UHFFFAOYSA-N
- 88962-13-4
- 5-(3-hydroxybutyl)-2-thiophenecarboxylic acid
- SCHEMBL9684214
- 5-(3-hydroxy-butyl)-2-thiophenecarboxylic acid
- DTXSID20600162
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- Inchi： 1S/C9H12O3S/c1-6(10)2-3-7-4-5-8(13-7)9(11)12/h4-6,10H,2-3H2,1H3,(H,11,12)
- InChI Key： LLIXWOGVCHHOTC-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC=C1CCC(C)O
Computed Properties
- Exact Mass: 200.05071541g/mol
- Monoisotopic Mass: 200.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 184
- 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: 1.9
- Topological Polar Surface Area: 85.8?2
2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)- 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
88962-13-4 (2-Thiophenecarboxylic acid, 5-(3-hydroxybutyl)-) Related Products
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