Cas no 108213-07-6 (1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis-Ethanone)
108213-07-6 structure
Product Name:1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis-Ethanone
CAS No:108213-07-6
MF:C9H11NO2
MW:165.189142465591
CID:127855
PubChem ID:13813925
Update Time:2025-04-18
1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis-Ethanone
- Ethanone, 1,1-(1-methyl-1H-pyrrole-2,4-diyl)bis- (9CI)
- Ethanone,1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis- (9CI)
- 108213-07-6
- 1,1'-(1-Methyl-1H-pyrrole-2,4-diyl)diethanone
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- Inchi： 1S/C9H11NO2/c1-6(11)8-4-9(7(2)12)10(3)5-8/h4-5H,1-3H3
- InChI Key： WDAYLJLOILSTGJ-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC(C(C)=O)=CN1C
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 0.4
- Topological Polar Surface Area: 39.1?2
Experimental Properties
- PSA: 39.07
1,1'-(1-methyl-1H-pyrrole-2,4-diyl)bis-Ethanone Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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