Cas no 5254-01-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 5,6-dihydrocyclopenta[fg]acenaphthylene-1,2-dione
- SCHEMBL10048344
- 5254-01-3
- DTXSID50325912
- AP-406/42800705
- tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene-2,3-dione
- NSC521728
- NSC-521728
-
-
- Inchi： 1S/C14H8O2/c15-13-9-5-3-7-1-2-8-4-6-10(14(13)16)12(9)11(7)8/h3-6H,1-2H2
- InChI Key： MYYPBOYMYOLWAI-UHFFFAOYSA-N
- SMILES： O=C1C(C2=CC=C3CCC4C=CC1=C2C=43)=O
Computed Properties
- Exact Mass: 208.05244
- Monoisotopic Mass: 208.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 339
- 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: 2.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.495
- Boiling Point: 434.6°C at 760 mmHg
- Flash Point: 185.9°C
- Refractive Index: 1.799
- PSA: 34.14
- LogP: 2.31740
Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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