Cas no 77614-41-6 (Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl-)
![Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl- structure](https://ossimg.kuujia.com/scimg/78000/77614-41-6x500.png)
77614-41-6 structure
Product Name:Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl-
CAS No:77614-41-6
MF:C16H16O3S
MW:288.361443519592
CID:570265
PubChem ID:3060063
Update Time:2025-04-19
Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl-
- 2-[4-(5-ethylthiophene-2-carbonyl)phenyl]propanoic acid
- 77614-41-6
- 4-((5-Ethyl-2-thienyl)carbonyl)-alpha-methylbenzeneacetic acid
- DTXSID50998827
- Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-
-
- Inchi： 1S/C16H16O3S/c1-3-13-8-9-14(20-13)15(17)12-6-4-11(5-7-12)10(2)16(18)19/h4-10H,3H2,1-2H3,(H,18,19)
- InChI Key： FZWRBXHTGDDMAU-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1C(C1C=CC(=CC=1)C(C(=O)O)C)=O)CC
Computed Properties
- Exact Mass: 288.082
- Monoisotopic Mass: 288.082
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 361
- 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: 4.1
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- Density: 1.229
- Boiling Point: 470.5°C at 760 mmHg
- Flash Point: 238.4°C
- Refractive Index: 1.595
Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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