Cas no 204068-76-8 (1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl-)
204068-76-8 structure
Product Name:1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl-
CAS No:204068-76-8
MF:C9H11NO2
MW:165.189142465591
CID:241299
PubChem ID:15357243
Update Time:2025-04-19
1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl-
- 1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl-(9CI)
- 3-ethyl-4-methyl-1H-pyrrol-2,5-dicarbaldehyd
- 204068-76-8
- 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarbaldehyde
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- Inchi： 1S/C9H11NO2/c1-3-7-6(2)8(4-11)10-9(7)5-12/h4-5,10H,3H2,1-2H3
- InChI Key： DLXOMNUNKBNUQW-UHFFFAOYSA-N
- SMILES： O=CC1=C(CC)C(C)=C(C=O)N1
Computed Properties
- Exact Mass: 165.078978594g/mol
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 181
- 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: 1.5
- Topological Polar Surface Area: 49.9?2
1H-Pyrrole-2,5-dicarboxaldehyde,3-ethyl-4-methyl- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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