Cas no 75288-42-5 (1-Butanone, 4-hydroxy-1-(2-thienyl)-)
75288-42-5 structure
Product Name:1-Butanone, 4-hydroxy-1-(2-thienyl)-
CAS No:75288-42-5
MF:C8H10O2S
MW:170.228801250458
CID:539818
PubChem ID:10654724
Update Time:2025-04-19
1-Butanone, 4-hydroxy-1-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 4-hydroxy-1-(2-thienyl)-
- 4-hydroxy-1-thiophen-2-ylbutan-1-one
- AKOS002433875
- DTXSID90442995
- SCHEMBL18906067
- 75288-42-5
- 4-Hydroxy-1-thien-2-ylbutan-1-one
- 4-hydroxy-1-(thiophen-2-yl)butan-1-one
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- Inchi： 1S/C8H10O2S/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6,9H,1,3,5H2
- InChI Key： DWNUMPAWCCRIFT-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CCCO)=O
Computed Properties
- Exact Mass: 170.04015073g/mol
- Monoisotopic Mass: 170.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 0.9
- Topological Polar Surface Area: 65.5?2
1-Butanone, 4-hydroxy-1-(2-thienyl)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
75288-42-5 (1-Butanone, 4-hydroxy-1-(2-thienyl)-) Related Products
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