Cas no 204068-74-6 (1H-Pyrrole-2-carboxylicacid, 3-ethyl-4-methyl-)
204068-74-6 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 3-ethyl-4-methyl-
CAS No:204068-74-6
MF:C8H11NO2
MW:153.178442239761
CID:241297
PubChem ID:15357245
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid, 3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 3-ethyl-4-methyl-
- 1H-Pyrrole-2-carboxylicacid,3-ethyl-4-methyl-(9CI)
- 3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
- 204068-74-6
- DTXSID80571945
-
- Inchi： 1S/C8H11NO2/c1-3-6-5(2)4-9-7(6)8(10)11/h4,9H,3H2,1-2H3,(H,10,11)
- InChI Key： OCHGJDLFOOULGG-UHFFFAOYSA-N
- SMILES： OC(C1=C(CC)C(C)=CN1)=O
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 1.7
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- PSA: 53.09
1H-Pyrrole-2-carboxylicacid, 3-ethyl-4-methyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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