Cas no 78805-15-9 (Ethyl 3-methyl-1H-pyrrole-1-carboxylate)
78805-15-9 structure
Product Name:Ethyl 3-methyl-1H-pyrrole-1-carboxylate
CAS No:78805-15-9
MF:C8H11NO2
MW:153.178442239761
CID:553486
Update Time:2023-08-02
Ethyl 3-methyl-1H-pyrrole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-carboxylicacid, 3-methyl-, ethyl ester
- 1H-Pyrrole-1-carboxylicacid,3-methyl-,ethylester(9CI)
- Ethyl 3-methyl-1H-pyrrole-1-carboxylate
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- Inchi： 1S/C8H11NO2/c1-3-11-8(10)9-5-4-7(2)6-9/h4-6H,3H2,1-2H3
- InChI Key： HBHOCWIUYPCALX-UHFFFAOYSA-N
- SMILES： O(CC)C(N1C=CC(C)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- Topological Polar Surface Area: 31.2
Ethyl 3-methyl-1H-pyrrole-1-carboxylate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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