Cas no 618905-84-3 (1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester,(alphaR)-(9CI))
618905-84-3 structure
Product Name:1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester,(alphaR)-(9CI)
CAS No:618905-84-3
MF:C8H11NO2
MW:153.178442239761
CID:955698
PubChem ID:11378612
Update Time:2025-04-19
1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester,(alphaR)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-aceticacid,alpha-methyl-,methylester,(alphaR)-(9CI)
- DTXSID80463997
- (R)-Methyl 2-(1H-pyrrol-1-yl)propanoate
- 1H-PYRROLE-1-ACETIC ACID, ALPHA-METHYL-, METHYL ESTER, (ALPHAR)-
- 618905-84-3
-
- Inchi： 1S/C8H11NO2/c1-7(8(10)11-2)9-5-3-4-6-9/h3-7H,1-2H3/t7-/m1/s1
- InChI Key： VNTMTYITVOQQIR-SSDOTTSWSA-N
- SMILES： O(C)C([C@@H](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: 1
- Undefined Atom Stereocenter Count : 0
- 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,(alphaR)-(9CI) Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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