Cas no 185993-85-5 (1H-Pyrrole-1-carboxylicacid, 2-cyano-, methyl ester)
185993-85-5 structure
Product Name:1H-Pyrrole-1-carboxylicacid, 2-cyano-, methyl ester
CAS No:185993-85-5
MF:C7H6N2O2
MW:150.134741306305
CID:114707
PubChem ID:45088271
Update Time:2025-04-18
1H-Pyrrole-1-carboxylicacid, 2-cyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-carboxylicacid, 2-cyano-, methyl ester
- 1H-Pyrrole-1-carboxylicacid,2-cyano-,methylester(9CI)
- methyl 2-cyano-1H-pyrrole-1-carboxylate
- 185993-85-5
-
- Inchi： 1S/C7H6N2O2/c1-11-7(10)9-4-2-3-6(9)5-8/h2-4H,1H3
- InChI Key： PPOQTQULPYHOBF-UHFFFAOYSA-N
- SMILES： O(C)C(N1C=CC=C1C#N)=O
Computed Properties
- Exact Mass: 150.04298
- Monoisotopic Mass: 150.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 206
- 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
- Topological Polar Surface Area: 55A^2
Experimental Properties
- PSA: 55.02
1H-Pyrrole-1-carboxylicacid, 2-cyano-, methyl ester Related Literature
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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