Cas no 139070-49-8 (3-ethyl-4-formyl-1H-Pyrrole-2,5-dicarboxylic acid)
139070-49-8 structure
Product Name:3-ethyl-4-formyl-1H-Pyrrole-2,5-dicarboxylic acid
CAS No:139070-49-8
MF:C9H9NO5
MW:211.171462774277
CID:1105639
Update Time:2024-07-25
3-ethyl-4-formyl-1H-Pyrrole-2,5-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-ethyl-4-formyl-1H-Pyrrole-2,5-dicarboxylic acid
- 1H-Pyrrole-2,5-dicarboxylic acid, 3-ethyl-4-formyl-
-
- Inchi： 1S/C9H9NO5/c1-2-4-5(3-11)7(9(14)15)10-6(4)8(12)13/h3,10H,2H2,1H3,(H,12,13)(H,14,15)
- InChI Key： NAZSROCYNOPEPQ-UHFFFAOYSA-N
- SMILES： N1C(C(O)=O)=C(C=O)C(CC)=C1C(O)=O
Computed Properties
- Exact Mass: 211.04807
Experimental Properties
- Density: 1.538±0.06 g/cm3(Predicted)
- Boiling Point: 500.2±50.0 °C(Predicted)
- PSA: 107.46
- pka: 2.51±0.50(Predicted)
3-ethyl-4-formyl-1H-Pyrrole-2,5-dicarboxylic acid Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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