Cas no 72716-23-5 (1,2,3,4,4a,9a-Hexahydroanthracene-9,10-dione)
72716-23-5 structure
Product Name:1,2,3,4,4a,9a-Hexahydroanthracene-9,10-dione
CAS No:72716-23-5
MF:C14H14O2
MW:214.259764194489
CID:530947
PubChem ID:20509680
Update Time:2024-03-01
1,2,3,4,4a,9a-Hexahydroanthracene-9,10-dione Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,2,3,4,4a,9a-hexahydro-
- 1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione
- LIQZKTKLUVWABH-UHFFFAOYSA-N
- 1,2,3,4,4a,9a-Hexahydroanthracene-9,10-dione
-
- Inchi： 1S/C14H14O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6,11-12H,3-4,7-8H2
- InChI Key： LIQZKTKLUVWABH-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2CCCCC21)=O
Computed Properties
- Exact Mass: 214.099379685g/mol
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1
- XLogP3: 2.8
1,2,3,4,4a,9a-Hexahydroanthracene-9,10-dione Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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