Cas no 78427-96-0 (4-Octanone, 1-phenyl-)
4-Octanone, 1-phenyl- structure
Product Name:4-Octanone, 1-phenyl-
CAS No:78427-96-0
MF:C14H20O
MW:204.308004379272
CID:534467
PubChem ID:11084962
Update Time:2025-04-19
4-Octanone, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanone, 1-phenyl-
- 1-phenyloctan-4-one
- 78427-96-0
- DTXSID90454659
- AKOS017958246
- SCHEMBL14672760
-
- Inchi： 1S/C14H20O/c1-2-3-11-14(15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
- InChI Key： YIYCWJWUZUBPLY-UHFFFAOYSA-N
- SMILES： O=C(CCCC)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 204.151415257g/mol
- 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: 3.8
- Topological Polar Surface Area: 17.1?2
4-Octanone, 1-phenyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
78427-96-0 (4-Octanone, 1-phenyl-) Related Products
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