Cas no 63476-16-4 (2-Thiopheneacetic acid, a-methyl-, ethyl ester)
63476-16-4 structure
Product Name:2-Thiopheneacetic acid, a-methyl-, ethyl ester
CAS No:63476-16-4
MF:C9H12O2S
MW:184.255381584167
CID:1652716
PubChem ID:12357016
Update Time:2024-03-01
2-Thiopheneacetic acid, a-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Thiopheneacetic acid, a-methyl-, ethyl ester
- 2-Thiopheneacetic acid, α-methyl-, ethyl ester
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- Inchi： 1S/C9H12O2S/c1-3-11-9(10)7(2)8-5-4-6-12-8/h4-7H,3H2,1-2H3
- InChI Key： ANSAXZVCVFZRFF-UHFFFAOYSA-N
- SMILES： CCOC(C(C1SC=CC=1)C)=O
Computed Properties
- Exact Mass: 184.05580079g/mol
- Monoisotopic Mass: 184.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 2.4
- Topological Polar Surface Area: 54.5?2
2-Thiopheneacetic acid, a-methyl-, ethyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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