Cas no 6683-96-1 (2-Octanone, 1-phenyl-)
2-Octanone, 1-phenyl- structure
Product Name:2-Octanone, 1-phenyl-
2-Octanone, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone, 1-phenyl-
- 1-phenyloctan-2-one
- phenyloctanone
- DTXSID80337144
- 6683-96-1
- SCHEMBL7036521
- AKOS011914696
- 1-Phenyl-2-octanone #
- FGDDRCMEONXJHO-UHFFFAOYSA-N
-
- Inchi： 1S/C14H20O/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
- InChI Key： FGDDRCMEONXJHO-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)CCCCCC
Computed Properties
- Exact Mass: 204.1515
- Monoisotopic Mass: 204.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 168
- 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: 4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Octanone, 1-phenyl- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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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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