Cas no 17825-38-6 ( )
structure
Product Name:
CAS No:17825-38-6
MF:C18H16O2
MW:264.318445205688
CID:882130
PubChem ID:282414
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5,7-tetramethylphenanthrene-9,10-dione
- (+/-)-2,4,5,7-Tetramethyl-9,10-phenanthrenequinone
- 2,4,5,7-tetramethyl-9,10-phenanthroquinone
- AC1L5WEP
- AC1Q6NBO
- AG-J-92545
- AR-1D2920
- CTK0H5334
- NSC135879
- SureCN6036547
-
-
- Inchi： 1S/C18H16O2/c1-9-5-11(3)15-13(7-9)17(19)18(20)14-8-10(2)6-12(4)16(14)15/h5-8H,1-4H3
- InChI Key： SPGRRQBIIDFRSZ-UHFFFAOYSA-N
- SMILES： O=C1C(C2C=C(C)C=C(C)C=2C2=C(C)C=C(C)C=C21)=O
Computed Properties
- Exact Mass: 264.11508
- Monoisotopic Mass: 264.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
- LogP: 3.96620
Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
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
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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