Cas no 1193-61-9 (1-Propanone,1-(1H-pyrrol-3-yl)-)
1193-61-9 structure
Product Name:1-Propanone,1-(1H-pyrrol-3-yl)-
1-Propanone,1-(1H-pyrrol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(1H-pyrrol-3-yl)-
- AKOS013058953
- 1193-61-9
- 1-(1h-pyrrol-3-yl)propan-1-one
- NSC-81354
- SCHEMBL12638827
- DTXSID70922927
- CCG-40442
- NSC81354
-
- Inchi： 1S/C7H9NO/c1-2-7(9)6-3-4-8-5-6/h3-5,8H,2H2,1H3
- InChI Key： RSPXQTWHPQFCDQ-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C=CNC=1
Computed Properties
- Exact Mass: 122.06064
- Monoisotopic Mass: 123.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 112
- 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: 0.9
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- Density: 1.063
- Boiling Point: 244.8°Cat760mmHg
- Flash Point: 108.1°C
- Refractive Index: 1.522
- PSA: 29.96
- LogP: 1.60740
1-Propanone,1-(1H-pyrrol-3-yl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
1193-61-9 (1-Propanone,1-(1H-pyrrol-3-yl)-) Related Products
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