Cas no 35774-01-7 (1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis-)
35774-01-7 structure
Product Name:1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis-
CAS No:35774-01-7
MF:C12H14O2
MW:190.238363742828
CID:1473519
PubChem ID:6990031
Update Time:2025-04-20
1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis-
- 8,9-dimethylbicyclo[4.4.O]deca-3,8-diene-2,5-dione
- 35774-01-7
- CTK1B6700
- DTXSID60426282
-
- Inchi： 1S/C12H14O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-4,9-10H,5-6H2,1-2H3/t9-,10+
- InChI Key： IQXXMOWPSFRMSL-AOOOYVTPSA-N
- SMILES： O=C1C=CC([C@@H]2CC(C)=C(C)C[C@@H]21)=O
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 327
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 4a,5,8,8a-tetrahydro-6,7-dimethyl-, cis- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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