Cas no 151696-97-8 (1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro-)
151696-97-8 structure
Product Name:1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro-
CAS No:151696-97-8
MF:C11H11NO3
MW:205.209943056107
CID:1325220
PubChem ID:12008585
Update Time:2025-04-20
1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro-
- 2,2-dimethyl-6-nitro-3H-inden-1-one
- DTXSID90475708
- SCHEMBL9139518
- 151696-97-8
-
- Inchi： 1S/C11H11NO3/c1-11(2)6-7-3-4-8(12(14)15)5-9(7)10(11)13/h3-5H,6H2,1-2H3
- InChI Key： IRKODHHLTUWJPF-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C=CC=2CC1(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 205.07393
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 305
- 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: 2.4
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
151696-97-8 (1H-Inden-1-one, 2,3-dihydro-2,2-dimethyl-6-nitro-) Related Products
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