Cas no 1604-40-6 (9,10-Anthracenedione,2,6-dinitro-)
1604-40-6 structure
Product Name:9,10-Anthracenedione,2,6-dinitro-
CAS No:1604-40-6
MF:C14H6N2O6
MW:298.207243442535
CID:199114
PubChem ID:74145
Update Time:2025-04-19
9,10-Anthracenedione,2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,2,6-dinitro-
- 2,6-dinitroanthracene-9,10-dione
- 2,6-dinitroanthraquinone
- SCHEMBL11207794
- 2,6-dinitroan-thraquinone
- DTXSID40166876
- 1604-40-6
- EINECS 216-511-9
- 9,10-Anthracenedione, 2,6-dinitro-
- 2,6-DINITRO-9,10-ANTHRACENEDIONE
- PVN99864LS
- UNII-PVN99864LS
- NS00025224
-
- Inchi： 1S/C14H6N2O6/c17-13-9-3-1-7(15(19)20)5-11(9)14(18)10-4-2-8(16(21)22)6-12(10)13/h1-6H
- InChI Key： OPXXCGAYBFDPHY-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC(=CC=2C(C2C=CC(=CC=21)[N+](=O)[O-])=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 298.02258
- Monoisotopic Mass: 298.02258592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 488
- 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: 2.5
- Topological Polar Surface Area: 126?2
Experimental Properties
- PSA: 120.42
9,10-Anthracenedione,2,6-dinitro- Related Literature
-
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
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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