Cas no 172035-83-5 (Benzoic acid, 4-(3-thienyl)-, ethyl ester)
172035-83-5 structure
Product Name:Benzoic acid, 4-(3-thienyl)-, ethyl ester
CAS No:172035-83-5
MF:C13H12O2S
MW:232.298182487488
CID:1354082
PubChem ID:10847181
Update Time:2025-04-20
Benzoic acid, 4-(3-thienyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(3-thienyl)-, ethyl ester
- ethyl 4-thiophen-3-ylbenzoate
- DA-09337
- 172035-83-5
- DTXSID80445758
- SCHEMBL6705545
-
- Inchi： 1S/C13H12O2S/c1-2-15-13(14)11-5-3-10(4-6-11)12-7-8-16-9-12/h3-9H,2H2,1H3
- InChI Key： FYYXOKARDMXXBE-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 232.05586
- Monoisotopic Mass: 232.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 234
- 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: 3.4
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-(3-thienyl)-, ethyl ester Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
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
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
172035-83-5 (Benzoic acid, 4-(3-thienyl)-, ethyl ester) Related Products
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