Cas no 1233389-85-9 (Ethyl 4-heptylthiophene-2-carboxylate)
1233389-85-9 structure
Product Name:Ethyl 4-heptylthiophene-2-carboxylate
CAS No:1233389-85-9
MF:C14H22O2S
MW:254.388283252716
CID:2131313
Update Time:2023-08-04
Ethyl 4-heptylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-heptylthiophene-2-carboxylate
- BEJDYGBHJZGBAY-UHFFFAOYSA-N
- Ethyl 4-heptylthiophene-2-carboxylate
-
- Inchi： 1S/C14H22O2S/c1-3-5-6-7-8-9-12-10-13(17-11-12)14(15)16-4-2/h10-11H,3-9H2,1-2H3
- InChI Key： BEJDYGBHJZGBAY-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC(=C1)CCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 9
- Complexity: 218
- Topological Polar Surface Area: 54.5
Ethyl 4-heptylthiophene-2-carboxylate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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