Cas no 618905-89-8 (1H-Pyrrole-1-acetaldehyde,alpha-propyl-,(alphaR)-(9CI))
618905-89-8 structure
Product Name:1H-Pyrrole-1-acetaldehyde,alpha-propyl-,(alphaR)-(9CI)
CAS No:618905-89-8
MF:C9H13NO
MW:151.205622434616
CID:1017730
Update Time:2022-07-26
1H-Pyrrole-1-acetaldehyde,alpha-propyl-,(alphaR)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-acetaldehyde,alpha-propyl-,(alphaR)-(9CI)
- 1H-Pyrrole-1-acetaldehyde, α-propyl-, (αR)-
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- Inchi： 1S/C9H13NO/c1-2-5-9(8-11)10-6-3-4-7-10/h3-4,6-9H,2,5H2,1H3/t9-/m1/s1
- InChI Key： QLPIZKKHQJMPRJ-SECBINFHSA-N
- SMILES： N1([C@H](CCC)C=O)C=CC=C1
Computed Properties
- Exact Mass: 151.1
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 119
- 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
- Topological Polar Surface Area: 22A^2
1H-Pyrrole-1-acetaldehyde,alpha-propyl-,(alphaR)-(9CI) Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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