Cas no 18938-39-1 (2-Propyn-1-ol,3-(1,3-dioxolan-2-yl)-)
18938-39-1 structure
Product Name:2-Propyn-1-ol,3-(1,3-dioxolan-2-yl)-
CAS No:18938-39-1
MF:C6H8O3
MW:128.125922203064
CID:123266
Update Time:2024-01-24
2-Propyn-1-ol,3-(1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propyn-1-ol,3-(1,3-dioxolan-2-yl)-
- 2-Propyn-1-ol, 3-(1,3-dioxolan-2-yl)- (8CI,9CI)
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- Inchi： 1S/C6H8O3/c7-3-1-2-6-8-4-5-9-6/h6-7H,3-5H2
- InChI Key： JSDBJDJMJRHUFV-UHFFFAOYSA-N
- SMILES： C(O)C#CC1OCCO1
Computed Properties
- Exact Mass: 128.04734
- Monoisotopic Mass: 128.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 135
- 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
- Topological Polar Surface Area: 38.7A^2
Experimental Properties
- PSA: 38.69
2-Propyn-1-ol,3-(1,3-dioxolan-2-yl)- Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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