Cas no 21377-46-8 (4a,8a-Ethanonapthalene-9,10-dione, octahydro-)
21377-46-8 structure
Product Name:4a,8a-Ethanonapthalene-9,10-dione, octahydro-
CAS No:21377-46-8
MF:C12H16O2
MW:192.254243850708
CID:864377
Update Time:2023-08-03
4a,8a-Ethanonapthalene-9,10-dione, octahydro- Chemical and Physical Properties
Names and Identifiers
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- 4a,8a-ethanonapthalene-9,10-dione,octahydro-
- 4a,8a-Ethanonapthalene-9,10-dione, octahydro-
-
- Inchi： 1S/C12H16O2/c13-9-10(14)12-6-2-1-5-11(9,12)7-3-4-8-12/h1-8H2
- InChI Key： KSLTWTMBHULBTN-UHFFFAOYSA-N
- SMILES： O=C1C(C23CCCCC21CCCC3)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 272
- Topological Polar Surface Area: 34.1
4a,8a-Ethanonapthalene-9,10-dione, octahydro- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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