Cas no 94023-52-6 (3-Thiopheneacetic acid,butyl ester)
94023-52-6 structure
Product Name:3-Thiopheneacetic acid,butyl ester
CAS No:94023-52-6
MF:C10H14O2S
MW:198.281961917877
CID:811493
PubChem ID:3023340
Update Time:2025-04-19
3-Thiopheneacetic acid,butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiopheneacetic acid,butyl ester
- butyl 2-thiophen-3-ylacetate
- butyl 3-thienylacetate
- 3-Thiopheneacetic acid, butyl ester
- BUTYL 3-THIOPHENEACETATE
- UNII-WXW592588Q
- EINECS 301-650-0
- 94023-52-6
- WXW592588Q
- NS00039920
- DTXSID50240313
-
- Inchi： 1S/C10H14O2S/c1-2-3-5-12-10(11)7-9-4-6-13-8-9/h4,6,8H,2-3,5,7H2,1H3
- InChI Key： NMZFYSUKQWEIBV-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)CC(=O)OCCCC
Computed Properties
- Exact Mass: 198.07145
- Monoisotopic Mass: 198.07145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 159
- 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: 2.7
- Topological Polar Surface Area: 54.5
Experimental Properties
- Density: 1.094
- Boiling Point: 265.9°Cat760mmHg
- Flash Point: 114.6°C
- Refractive Index: 1.513
3-Thiopheneacetic acid,butyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
94023-52-6 (3-Thiopheneacetic acid,butyl ester) Related Products
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