Cas no 116307-87-0 (1-(ethoxymethyl)-1H-Pyrazole)
1-(ethoxymethyl)-1H-Pyrazole structure
Product Name:1-(ethoxymethyl)-1H-Pyrazole
CAS No:116307-87-0
MF:C6H10N2O
MW:126.156401157379
CID:1100217
PubChem ID:15714399
Update Time:2025-04-20
1-(ethoxymethyl)-1H-Pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(ethoxymethyl)-1H-Pyrazole
- 1-(ethoxymethyl)pyrazole
- 1-ethoxymethyl-pyrazole
- 1-ethoxymethylpyrazole
- DTXSID80577260
- SCHEMBL1094446
- AKOS014703030
- 116307-87-0
- BCLCTNFGMGONNN-UHFFFAOYSA-N
- DB-161693
-
- Inchi： 1S/C6H10N2O/c1-2-9-6-8-5-3-4-7-8/h3-5H,2,6H2,1H3
- InChI Key： BCLCTNFGMGONNN-UHFFFAOYSA-N
- SMILES： O(CC)CN1C=CC=N1
Computed Properties
- Exact Mass: 126.0794
- Monoisotopic Mass: 126.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 77.5
- 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: 0.5
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.05
1-(ethoxymethyl)-1H-Pyrazole Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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