Cas no 87991-87-5 (1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,6,8a-trimethyl-, cis-)
87991-87-5 structure
Product Name:1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,6,8a-trimethyl-, cis-
CAS No:87991-87-5
MF:C13H16O2
MW:204.264944076538
CID:649319
Update Time:2023-08-03
1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,6,8a-trimethyl-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,6,8a-trimethyl-, cis-
- 2,6,8abeta-Trimethyl-4abeta,5,8,8a-tetrahydronaphthalene-1,4-dione
-
- Inchi： 1S/C13H16O2/c1-8-4-5-13(3)10(6-8)11(14)7-9(2)12(13)15/h4,7,10H,5-6H2,1-3H3/t10-,13-/m0/s1
- InChI Key： HXWXKEZDPQKNQW-GWCFXTLKSA-N
- SMILES： O=C1C(C)=CC([C@@H]2CC(C)=CC[C@@]21C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 401
- Topological Polar Surface Area: 34.1
1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-2,6,8a-trimethyl-, cis- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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