Cas no 116139-23-2 (Ethanone,1-(5-methyl-2-oxazolyl)-)
116139-23-2 structure
Product Name:Ethanone,1-(5-methyl-2-oxazolyl)-
CAS No:116139-23-2
MF:C6H7NO2
MW:125.125281572342
CID:131097
PubChem ID:13976510
Update Time:2025-04-19
Ethanone,1-(5-methyl-2-oxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(5-methyl-2-oxazolyl)-
- 1-(5-methyloxazol-2-yl)ethanone
- Ethanone, 1-(5-methyl-2-oxazolyl)- (9CI)
- 1-(5-Methyl-oxazol-2-yl)-ethanone
- 116139-23-2
- SCHEMBL10121134
- 1-(5-METHYL-1,3-OXAZOL-2-YL)ETHANONE
-
- Inchi： 1S/C6H7NO2/c1-4-3-7-6(9-4)5(2)8/h3H,1-2H3
- InChI Key： JIAUNLURFCBFPX-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=NC=C1C
Computed Properties
- Exact Mass: 125.04771
- Monoisotopic Mass: 125.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- 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: 0.8
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
Ethanone,1-(5-methyl-2-oxazolyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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