Cas no 773138-57-1 (1H-Pyrrole-2,4-dicarboxylicacid,1-methyl-,4-ethyl2-methylester(9CI))
773138-57-1 structure
Product Name:1H-Pyrrole-2,4-dicarboxylicacid,1-methyl-,4-ethyl2-methylester(9CI)
CAS No:773138-57-1
MF:C10H13NO4
MW:211.214523077011
CID:552124
Update Time:2022-09-22
1H-Pyrrole-2,4-dicarboxylicacid,1-methyl-,4-ethyl2-methylester(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2,4-dicarboxylicacid,1-methyl-,4-ethyl2-methylester(9CI)
- 1H-Pyrrole-2,4-dicarboxylic acid, 1-methyl-, 4-ethyl 2-methyl ester
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- Inchi： 1S/C10H13NO4/c1-4-15-9(12)7-5-8(10(13)14-3)11(2)6-7/h5-6H,4H2,1-3H3
- InChI Key： KBBBEBCZDCEONN-UHFFFAOYSA-N
- SMILES： N1(C)C=C(C(OCC)=O)C=C1C(OC)=O
Computed Properties
- Exact Mass: 211.084
- Monoisotopic Mass: 211.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 254
- 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
- Topological Polar Surface Area: 57.5A^2
1H-Pyrrole-2,4-dicarboxylicacid,1-methyl-,4-ethyl2-methylester(9CI) Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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