Cas no 113169-27-0 (4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid ethyl ester)
113169-27-0 structure
Product Name:4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid ethyl ester
CAS No:113169-27-0
MF:C9H11NO3
MW:181.188542604446
CID:1099430
PubChem ID:14643811
Update Time:2025-04-20
4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid ethyl ester
- ethyl 4-formyl-1-methyl-1H-pyrrole-2-carboxylate
- ethyl 4-formyl-1-methylpyrrole-2-carboxylate
- DA-20186
- 113169-27-0
- AB57045
- SCHEMBL2397281
- A1-11204
- AKOS006302918
- HENLOHXKKRWRLB-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11NO3/c1-3-13-9(12)8-4-7(6-11)5-10(8)2/h4-6H,3H2,1-2H3
- InChI Key： HENLOHXKKRWRLB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC(C=O)=CN1C)=O
Computed Properties
- Exact Mass: 181.07389321g/mol
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 205
- 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: 48.3?2
4-formyl-1-methyl-1H-Pyrrole-2-carboxylic acid ethyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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