Cas no 646060-22-2 (Ethanone, 1-benzo[a]pentacen-3-yl-)
![Ethanone, 1-benzo[a]pentacen-3-yl- structure](https://ossimg.kuujia.com/scimg/646500/646060-22-2x500.png)
646060-22-2 structure
Product Name:Ethanone, 1-benzo[a]pentacen-3-yl-
CAS No:646060-22-2
MF:C28H18O
MW:370.441927433014
CID:421560
PubChem ID:60042323
Update Time:2025-04-19
Ethanone, 1-benzo[a]pentacen-3-yl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-benzo[a]pentacen-3-yl-
- DTXSID90733517
- 646060-22-2
- 1-(Benzo[a]pentacen-3-yl)ethan-1-one
-
- Inchi： 1S/C28H18O/c1-17(29)18-8-9-27-21(10-18)6-7-22-13-25-14-23-11-19-4-2-3-5-20(19)12-24(23)15-26(25)16-28(22)27/h2-16H,1H3
- InChI Key： GQGCCMASHILADX-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC2=C(C=1)C=CC1=CC3C=C4C=C5C=CC=CC5=CC4=CC=3C=C12
Computed Properties
- Exact Mass: 370.13584
- Monoisotopic Mass: 370.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 624
- 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: 7.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-benzo[a]pentacen-3-yl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
646060-22-2 (Ethanone, 1-benzo[a]pentacen-3-yl-) Related Products
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