Cas no 793727-85-2 (1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)-)
793727-85-2 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)-
CAS No:793727-85-2
MF:C11H15NO3
MW:209.241703271866
CID:556321
PubChem ID:2566104
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)-
- 1H-Pyrrole-2-carboxylicacid,3,5-dimethyl-4-(2-methyl-1-oxopropyl)-(9CI)
- 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic acid
- AKOS026729641
- 793727-85-2
- DTXSID70368947
- 4-Isobutyryl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- T5302605
-
- Inchi： 1S/C11H15NO3/c1-5(2)10(13)8-6(3)9(11(14)15)12-7(8)4/h5,12H,1-4H3,(H,14,15)
- InChI Key： IRXBKLCZUFUTBK-UHFFFAOYSA-N
- SMILES： O=C(C(C)C)C1=C(C)NC(C(=O)O)=C1C
Computed Properties
- Exact Mass: 209.10519334g/mol
- Monoisotopic Mass: 209.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 2.1
- Topological Polar Surface Area: 70.2?2
1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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