Cas no 148403-22-9 (1-(5-phenyl-1H-pyrrol-3-yl)-Ethanone)
148403-22-9 structure
Product Name:1-(5-phenyl-1H-pyrrol-3-yl)-Ethanone
CAS No:148403-22-9
MF:C12H11NO
MW:185.221843004227
CID:1106407
PubChem ID:5154161
Update Time:2025-04-20
1-(5-phenyl-1H-pyrrol-3-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-phenyl-1H-pyrrol-3-yl)-Ethanone
- 1-(5-phenyl-1H-pyrrol-3-yl)ethanone
- Ethanone, 1-(5-phenyl-1H-pyrrol-3-yl)-
- 148403-22-9
- SB63740
- 4-Acetyl-2-phenylpyrrole
- DTXSID60408947
-
- MDL： MFCD00966961
- Inchi： 1S/C12H11NO/c1-9(14)11-7-12(13-8-11)10-5-3-2-4-6-10/h2-8,13H,1H3
- InChI Key： ARUITDCTKODANA-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC(=C1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 185.08413
- Monoisotopic Mass: 185.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 2.1
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1-(5-phenyl-1H-pyrrol-3-yl)-Ethanone Related Literature
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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