Cas no 29182-34-1 (1-methyl-1H-Pyrrole-2,4-dicarboxylic acid 2,4-dimethyl ester)
29182-34-1 structure
Product Name:1-methyl-1H-Pyrrole-2,4-dicarboxylic acid 2,4-dimethyl ester
CAS No:29182-34-1
MF:C9H11NO4
MW:197.187942743301
CID:1110422
PubChem ID:12361757
Update Time:2025-04-20
1-methyl-1H-Pyrrole-2,4-dicarboxylic acid 2,4-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1H-Pyrrole-2,4-dicarboxylic acid 2,4-dimethyl ester
- dimethyl 1-methylpyrrole-2,4-dicarboxylate
- 29182-34-1
- Dimethyl 1-methyl-1H-pyrrole-2,4-dicarboxylate
- DTXSID90494191
- AKOS006278277
- SCHEMBL9713997
- 1-methyl-1h-pyrrole-2,4-dicarboxylic acid dimethyl ester
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- Inchi： 1S/C9H11NO4/c1-10-5-6(8(11)13-2)4-7(10)9(12)14-3/h4-5H,1-3H3
- InChI Key： OZILUNOGOKIUQG-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(C(=O)OC)=CN1C)=O
Computed Properties
- Exact Mass: 197.06880783g/mol
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 0.7
- Topological Polar Surface Area: 57.5?2
1-methyl-1H-Pyrrole-2,4-dicarboxylic acid 2,4-dimethyl ester Related Literature
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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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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