Cas no 827308-09-8 (3-Hexanone, 2-(phenylmethoxy)-)
827308-09-8 structure
Product Name:3-Hexanone, 2-(phenylmethoxy)-
CAS No:827308-09-8
MF:C13H18O2
MW:206.280824184418
CID:685274
PubChem ID:16655773
Update Time:2025-04-19
3-Hexanone, 2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 2-(phenylmethoxy)-
- 2-phenylmethoxyhexan-3-one
- 2-(Benzyloxy)hexan-3-one
- DTXSID90586520
- 827308-09-8
- SCHEMBL20917423
-
- Inchi： 1S/C13H18O2/c1-3-7-13(14)11(2)15-10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
- InChI Key： ZKYQJADATQXWEN-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(C)C(CCC)=O
Computed Properties
- Exact Mass: 206.130679813g/mol
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
3-Hexanone, 2-(phenylmethoxy)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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