Cas no 5466-35-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- [2-methyl-2-(4-propan-2-ylphenyl)-1,3-oxathiolan-5-yl]methanol
- 5466-35-3
- N-(2,5-dimethylcyclopentylidene)hydroxylamine
- NSC-27297
- NSC27297
- DTXSID00969941
-
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- Inchi： 1S/C7H13NO/c1-5-3-4-6(2)7(5)8-9/h5-6,9H,3-4H2,1-2H3
- InChI Key： PYFBOWYTJLHILI-UHFFFAOYSA-N
- SMILES： O/N=C1/C(C)CCC/1C
Computed Properties
- Exact Mass: 127.09979
- Monoisotopic Mass: 127.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 32.6?2
Experimental Properties
- Density: 1.08
- Boiling Point: 205.4°C at 760 mmHg
- Flash Point: 107.8°C
- Refractive Index: 1.525
- PSA: 32.59
Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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