Cas no 776-24-9 (4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester)
776-24-9 structure
Product Name:4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester
CAS No:776-24-9
MF:C10H13NO3
MW:195.215122938156
CID:581453
PubChem ID:227593
Update Time:2025-04-19
4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester
- 1H-Pyrrole-3-carboxylicacid, 4-formyl-2,5-dimethyl-, ethyl ester
- ethyl 4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
- 2,5-Dimethyl-3-carboethoxypyrrol-4-carboxaldehyd
- 2.5-Dimethyl-4-formyl-pyrrol-carbonsaeure-(3)-aethylester
- 4-Formyl-2,5-dimethyl-pyrrol-3-carbonsaeure-aeth
- 4-Formyl-2,5-dimethyl-pyrrol-3-carbonsaeure-ethylester
- 4-formyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester
- AC1L5FLQ
- AG-J-04572
- CTK5E4703
- ethyl 2,5-dimethyl-4-formyl-1H-pyrrole-3-carboxylate
- ethyl 3-formyl-2,5-dimethylpyrrole-4-carboxylate
- SMR000311059
- ethyl 3-formyl-2,5-dimethyl-pyrrole-4-carboxylate
- 776-24-9
- SCHEMBL15331979
- CHEMBL1531091
- AKOS002137881
- NSC-19438
- NSC19438
- DTXSID40280965
- MLS000689261
-
- Inchi： 1S/C10H13NO3/c1-4-14-10(13)9-7(3)11-6(2)8(9)5-12/h5,11H,4H2,1-3H3
- InChI Key： PWPXSQUXDZUGJW-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C=O)=C(C)NC=1C)=O
Computed Properties
- Exact Mass: 195.08959
- Monoisotopic Mass: 195.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 229
- 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: 1.2
- Topological Polar Surface Area: 59.2?2
Experimental Properties
- Density: 1.173
- Boiling Point: 393.5°Cat760mmHg
- Flash Point: 191.8°C
- Refractive Index: 1.556
- PSA: 59.16
- LogP: 1.62070
4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
776-24-9 (4-formyl-2,5-dimethyl-1H-Pyrrole-3-carboxylic acid ethyl ester) Related Products
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