Cas no 154321-64-9 (1H-Pyrrole-2-carboxylic acid, 5-(2-thienyl)-, ethyl ester)
154321-64-9 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 5-(2-thienyl)-, ethyl ester
CAS No:154321-64-9
MF:C11H11NO2S
MW:221.275541543961
CID:1328812
Update Time:2024-08-18
1H-Pyrrole-2-carboxylic acid, 5-(2-thienyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylic acid, 5-(2-thienyl)-, ethyl ester
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- Inchi： 1S/C11H11NO2S/c1-2-14-11(13)9-6-5-8(12-9)10-4-3-7-15-10/h3-7,12H,2H2,1H3
- InChI Key： HNNDTQISHZONEW-UHFFFAOYSA-N
- SMILES： N1C(C2SC=CC=2)=CC=C1C(OCC)=O
Computed Properties
- Exact Mass: 221.05113
Experimental Properties
- Density: 1.250±0.06 g/cm3(Predicted)
- Boiling Point: 398.9±32.0 °C(Predicted)
- PSA: 42.09
- pka: 15.33±0.50(Predicted)
1H-Pyrrole-2-carboxylic acid, 5-(2-thienyl)-, ethyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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