Cas no 2363-86-2 (Octanal, 2-oxo-)
Octanal, 2-oxo- structure
Product Name:Octanal, 2-oxo-
Octanal, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-oxooctanal
- Octanal, 2-oxo-
- DTXSID10178305
- MWDGNKGKLOBESZ-UHFFFAOYSA-N
- SCHEMBL83435
- 2363-86-2
- 1.2-octanedione
-
- Inchi： 1S/C8H14O2/c1-2-3-4-5-6-8(10)7-9/h7H,2-6H2,1H3
- InChI Key： MWDGNKGKLOBESZ-UHFFFAOYSA-N
- SMILES： O=C(C=O)CCCCCC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 108
- 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: 2.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Octanal, 2-oxo- Related Literature
-
Yujiro Hayashi,Yusuke Yasui,Masahiro Kojima,Tsuyoshi Kawamura,Hayato Ishikawa Chem. Commun. 2012 48 4570
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