Cas no 61810-29-5 (Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate)
![Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate structure](https://ossimg.kuujia.com/scimg/62000/61810-29-5x500.png)
61810-29-5 structure
Product Name:Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CAS No:61810-29-5
MF:C12H17NO4
MW:239.267683744431
CID:465471
Update Time:2023-08-03
Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylic acid, 5-[(acetyloxy)methyl]-3,4-dimethyl-, ethylester
- Oprea1_572277
- ethyl 5-acetoxymethyl-3,4-dimethylpyrrole-2-carboxylate
- AYXUJSGYBCZSQW-UHFFFAOYSA-N
- 3,4-dimethyl-2-acetoxymethyl-5-ethoxycarbonylpyrrole
- Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
- Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate #
- 5-Acetyloxymethyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid, ethyl ester
- Pyrrole-2-carboxylic acid, 5-acetyloxymethyl-3,4-dimethyl-, ethyl ester
-
- Inchi： 1S/C12H17NO4/c1-5-16-12(15)11-8(3)7(2)10(13-11)6-17-9(4)14/h13H,5-6H2,1-4H3
- InChI Key： AYXUJSGYBCZSQW-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1=C(C)C(C)=C(C(=O)OCC)N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 292
- Topological Polar Surface Area: 68.4
Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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