Cas no 89929-86-2 (Benzenemethanol, 3-(3-thienyl)-, acetate)
89929-86-2 structure
Product Name:Benzenemethanol, 3-(3-thienyl)-, acetate
CAS No:89929-86-2
MF:C13H14O3S
MW:250.313462734222
CID:585086
PubChem ID:71326921
Update Time:2025-04-19
Benzenemethanol, 3-(3-thienyl)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-(3-thienyl)-, acetate
- acetic acid,(3-thiophen-3-ylphenyl)methanol
- 89929-86-2
- Acetic acid--[3-(thiophen-3-yl)phenyl]methanol (1/1)
- DTXSID10756046
-
- Inchi： 1S/C11H10OS.C2H4O2/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11;1-2(3)4/h1-6,8,12H,7H2;1H3,(H,3,4)
- InChI Key： XJYKOAFRZRIIIW-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C1=CC=CC(CO)=C1.OC(C)=O
Computed Properties
- Exact Mass: 250.06636548g/mol
- Monoisotopic Mass: 250.06636548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 191
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 85.8?2
Benzenemethanol, 3-(3-thienyl)-, acetate Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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