Cas no 104557-41-7 (Pyrenol, nitro- (9CI))
Pyrenol, nitro- (9CI) structure
Product Name:Pyrenol, nitro- (9CI)
CAS No:104557-41-7
MF:C16H9NO3
MW:263.247564077377
CID:147535
PubChem ID:149325
Update Time:2025-04-19
Pyrenol, nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrenol, nitro- (9CI)
- Pyren-1-ol, nitro-
- Nitropyrenol
- 104557-41-7
- Pyrenol, nitro-
- 2-nitropyren-1-ol
- nitrohydroxypyrene
- Nitro-1-hydroxypyrene
- 99333-90-1
- CCRIS 3170
- DTXSID50909034
-
- Inchi： 1S/C16H9NO3/c18-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)17(19)20/h1-8,18H
- InChI Key： UGEFUZCXSPVSPJ-UHFFFAOYSA-N
- SMILES： OC1C(=CC2=CC=C3C=CC=C4C=CC=1C2=C43)[N+](=O)[O-]
Computed Properties
- Exact Mass: 263.05827
- Monoisotopic Mass: 263.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 407
- 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: 5.1
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Pyrenol, nitro- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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