Cas no 130016-69-2 (1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester(9CI))
130016-69-2 structure
Product Name:1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester(9CI)
CAS No:130016-69-2
MF:C8H11NO2
MW:153.178442239761
CID:855993
PubChem ID:14351972
Update Time:2025-04-19
1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester(9CI)
- methyl 2-pyrrol-1-ylpropanoate
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- Inchi： 1S/C8H11NO2/c1-7(8(10)11-2)9-5-3-4-6-9/h3-7H,1-2H3
- InChI Key： VNTMTYITVOQQIR-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)N1C=CC=C1)=O
Computed Properties
- Exact Mass: 153.078978594g/mol
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 31.2?2
1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester(9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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