Cas no 57412-63-2 (Hexynol)
Hexynol structure
Product Name:Hexynol
CAS No:57412-63-2
MF:C6H10O
MW:98.1430020332336
CID:345457
PubChem ID:15256937
Update Time:2025-04-19
Hexynol Chemical and Physical Properties
Names and Identifiers
-
- Hexynol
- hex-1-yn-1-ol
- A839182
- MLRKYSNODSLPAB-UHFFFAOYSA-N
- 57412-63-2
- 1-hexyn-1-ol
- DTXSID00570551
- hexyn-1-ol
-
- Inchi： 1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-4H2,1H3
- InChI Key： MLRKYSNODSLPAB-UHFFFAOYSA-N
- SMILES： OC#CCCCC
Computed Properties
- Exact Mass: 98.0732
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 82.8
- 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: 2.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Hexynol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
5. 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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