Cas no 112945-36-5 (6-hydroxyoctan-3-one)
6-hydroxyoctan-3-one structure
Product Name:6-hydroxyoctan-3-one
CAS No:112945-36-5
MF:C8H16O2
MW:144.211442947388
CID:2609816
PubChem ID:15920952
Update Time:2025-04-21
6-hydroxyoctan-3-one Chemical and Physical Properties
Names and Identifiers
-
- 6-hydroxyoctan-3-one
- SCHEMBL5298847
- 112945-36-5
- AKOS017982606
- DTXSID20579642
-
- Inchi： 1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3
- InChI Key： VJDZJBNTVLGPEM-UHFFFAOYSA-N
- SMILES： OC(CC)CCC(CC)=O
Computed Properties
- Exact Mass: 144.115029749g/mol
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- 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: 1
- Topological Polar Surface Area: 37.3?2
6-hydroxyoctan-3-one Related Literature
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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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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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