Cas no 52651-53-3 (9,10-Anthracenedione, 1-ethyl-1,2,3,4,4a,9a-hexahydro-)
52651-53-3 structure
Product Name:9,10-Anthracenedione, 1-ethyl-1,2,3,4,4a,9a-hexahydro-
CAS No:52651-53-3
MF:C16H18O2
MW:242.312924861908
CID:359165
PubChem ID:68132094
Update Time:2025-04-19
9,10-Anthracenedione, 1-ethyl-1,2,3,4,4a,9a-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1-ethyl-1,2,3,4,4a,9a-hexahydro-
- 1-ethyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione
- SCHEMBL11793852
- DTXSID40738032
- 52651-53-3
-
- Inchi： 1S/C16H18O2/c1-2-10-6-5-9-13-14(10)16(18)12-8-4-3-7-11(12)15(13)17/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3
- InChI Key： SBTNUFDAMOSGBL-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2CCCC(CC)C21)=O
Computed Properties
- Exact Mass: 242.13074
- Monoisotopic Mass: 242.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
9,10-Anthracenedione, 1-ethyl-1,2,3,4,4a,9a-hexahydro- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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