Cas no 77053-97-5 (1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl-)
![1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl- structure](https://ossimg.kuujia.com/scimg/77500/77053-97-5x500.png)
77053-97-5 structure
Product Name:1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl-
CAS No:77053-97-5
MF:C22H20O5
MW:364.391206741333
CID:569869
PubChem ID:3059714
Update Time:2025-04-19
1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl-
- 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-pheny l-
- 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione
- OLUMRJVVZCNCBF-UHFFFAOYSA-N
- SCHEMBL11163666
- DTXSID00227851
- 77053-97-5
- 2-(3-(1,3-Benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-1,3-cyclohexanedione
- 1,3-Cyclohexanedione, 2-(3-(1,3-benzodioxol-5-yl)-1-oxopropyl)-5-phenyl-
- 5-phenyl-2-[3-(3,4-methylenedioxyphenyl)-propionyl]-cyclohexane-1,3-dione
-
- Inchi： 1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2
- InChI Key： OLUMRJVVZCNCBF-UHFFFAOYSA-N
- SMILES： O=C1C(C(CCC2=CC=C3C(=C2)OCO3)=O)C(CC(C2C=CC=CC=2)C1)=O
Computed Properties
- Exact Mass: 364.131
- Monoisotopic Mass: 364.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 561
- 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
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- Density: 1.286
- Boiling Point: 569.9°C at 760 mmHg
- Flash Point: 250.3°C
- Refractive Index: 1.599
1,3-Cyclohexanedione,2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenyl- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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