Cas no 272438-29-6 (6-Nitro-10,11-dihydrobenz(a)anthracen-8(9H)-one)
272438-29-6 structure
Product Name:6-Nitro-10,11-dihydrobenz(a)anthracen-8(9H)-one
CAS No:272438-29-6
MF:C18H13NO3
MW:291.300724744797
CID:269588
Update Time:2023-08-03
6-Nitro-10,11-dihydrobenz(a)anthracen-8(9H)-one Chemical and Physical Properties
Names and Identifiers
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- Benz[a]anthracen-8(9H)-one,10,11-dihydro-6-nitro-
- 8-Keto-6-nitrotetrahydrobenz(a)anthracene
- 8-KETO-6-NITRO-TETRAHYDROBENZ[A]ANTHRACENE
- 6-Nitro-10,11-dihydrobenz(a)anthracen-8(9H)-one
-
- Inchi： 1S/C18H13NO3/c20-18-7-3-5-11-8-15-13-6-2-1-4-12(13)9-17(19(21)22)16(15)10-14(11)18/h1-2,4,6,8-10H,3,5,7H2
- InChI Key： UXXUKAUVZDUJQN-UHFFFAOYSA-N
- SMILES： O=C1CCCC2C=C3C4C=CC=CC=4C=C(C3=CC=21)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 471
- Topological Polar Surface Area: 62.9
6-Nitro-10,11-dihydrobenz(a)anthracen-8(9H)-one Related Literature
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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