Cas no 60719-18-8 (1,8-Azulenedione, octahydro-)
1,8-Azulenedione, octahydro- structure
Product Name:1,8-Azulenedione, octahydro-
CAS No:60719-18-8
MF:C10H14O2
MW:166.216963291168
CID:495979
PubChem ID:11446538
Update Time:2025-04-19
1,8-Azulenedione, octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Azulenedione, octahydro-
- 2,3,3a,4,5,6,7,8a-octahydroazulene-1,8-dione
-
- Inchi： 1S/C10H14O2/c11-8-4-2-1-3-7-5-6-9(12)10(7)8/h7,10H,1-6H2
- InChI Key： IMIOGAXNSIMJRI-UHFFFAOYSA-N
- SMILES： O=C1CCC2CCCCC(C21)=O
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 220
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,8-Azulenedione, octahydro- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
60719-18-8 (1,8-Azulenedione, octahydro-) Related Products
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- 765-69-5(2-Methylcyclopentane-1,3-dione)
- 1540-36-9(3-n-Butyl-2,4-pentanedione)
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