Cas no 89378-36-9 (1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester)
89378-36-9 structure
Product Name:1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS No:89378-36-9
MF:C12H17NO4
MW:239.267683744431
CID:602602
PubChem ID:11241903
Update Time:2025-04-19
1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester
- 1-O-tert-butyl 2-O-ethyl pyrrole-1,2-dicarboxylate
- 89378-36-9
- 1-tert-Butyl 2-ethyl 1H-pyrrole-1,2-dicarboxylate
- DTXSID60459853
- 1-(tert-Butyl) 2-ethyl 1H-pyrrole-1,2-dicarboxylate
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- Inchi： 1S/C12H17NO4/c1-5-16-10(14)9-7-6-8-13(9)11(15)17-12(2,3)4/h6-8H,5H2,1-4H3
- InChI Key： RTTWNSKNEDTSNI-UHFFFAOYSA-N
- SMILES： O(C(N1C=CC=C1C(=O)OCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 239.11575802g/mol
- Monoisotopic Mass: 239.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 295
- 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: 2.5
- Topological Polar Surface Area: 57.5?2
1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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