Cas no 53702-23-1 (Benzenenonanoic acid, q-oxo-)
Benzenenonanoic acid, q-oxo- structure
Product Name:Benzenenonanoic acid, q-oxo-
CAS No:53702-23-1
MF:C15H20O3
MW:248.317504882813
CID:380836
PubChem ID:290155
Update Time:2025-04-19
Benzenenonanoic acid, q-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenenonanoic acid, q-oxo-
- 8-benzoyloctanoic acid
- 8-Oxo-8-phenyl-octan-carbonsaeure-(1)
- 9-hydroxy-10-nitro-octadecanoic acid
- 9-Hydroxy-10-nitro-octadecansaeure
- 9-oxo-9-phenyl-nonanoic acid
- 9-Oxo-9-phenyl-nonansaeure
- CTK3B7463
- Octadecanoic acid, 9-hydroxy-10-nitro-
- NSC153057
- DTXSID40302717
- FT-0621505
- 9-Oxo-9-phenylnonanoic acid
- 53702-23-1
- 9-Oxo-9-phenylnonanoic acid #
- NSC-153057
- SCHEMBL3383102
- 16269-05-9
- 8-Benzoyloctanoicacid
- CCG-254043
- BFUPULAAJVYXRI-UHFFFAOYSA-N
-
- Inchi： 1S/C15H20O3/c16-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(17)18/h4-6,9-10H,1-3,7-8,11-12H2,(H,17,18)
- InChI Key： BFUPULAAJVYXRI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)CCCCCCCC(=O)O
Computed Properties
- Exact Mass: 248.141
- Monoisotopic Mass: 248.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 255
- 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: 3.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.074
- Boiling Point: 418.7°C at 760 mmHg
- Flash Point: 221.1°C
- Refractive Index: 1.52
Benzenenonanoic acid, q-oxo- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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