Cas no 95232-59-0 (Ethanone,1-(3-hydroxy-1H-pyrrol-2-yl)-)
95232-59-0 structure
Product Name:Ethanone,1-(3-hydroxy-1H-pyrrol-2-yl)-
CAS No:95232-59-0
MF:C6H7NO2
MW:125.125281572342
CID:799298
PubChem ID:45085188
Update Time:2025-04-19
Ethanone,1-(3-hydroxy-1H-pyrrol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-hydroxy-1H-pyrrol-2-yl)-
- Ethanone, 1-(3-hydroxy-1H-pyrrol-2-yl)- (9CI)
- DTXSID101291655
- 95232-59-0
- 1-(3-hydroxy-1H-pyrrol-2-yl)ethanone
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- Inchi： 1S/C6H7NO2/c1-4(8)6-5(9)2-3-7-6/h2-3,7,9H,1H3
- InChI Key： IDHRFIUIOTTZCB-UHFFFAOYSA-N
- SMILES： OC1C=CNC=1C(C)=O
Computed Properties
- Exact Mass: 125.047678466g/mol
- Monoisotopic Mass: 125.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 124
- 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: 53.1?2
Ethanone,1-(3-hydroxy-1H-pyrrol-2-yl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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