Cas no 2363-84-0 (Hexanal, 2-oxo-)
Hexanal, 2-oxo- structure
Product Name:Hexanal, 2-oxo-
Hexanal, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanal, 2-oxo-
- 2-oxohexanal
- SCHEMBL402698
- 2363-84-0
- DTXSID50178304
- 2-Oxo-hexanal
- Pentanol Keton
- QHOSFZIXOKVGHK-UHFFFAOYSA-N
-
- Inchi： 1S/C6H10O2/c1-2-3-4-6(8)5-7/h5H,2-4H2,1H3
- InChI Key： QHOSFZIXOKVGHK-UHFFFAOYSA-N
- SMILES： O=C(C=O)CCCC
Computed Properties
- Exact Mass: 114.0681
- Monoisotopic Mass: 114.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 86.5
- 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: 1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Hexanal, 2-oxo- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
2363-84-0 (Hexanal, 2-oxo-) Related Products
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