Cas no 89198-47-0 (Pyrene, 1-methyl-8-nitro-)
Pyrene, 1-methyl-8-nitro- structure
Product Name:Pyrene, 1-methyl-8-nitro-
CAS No:89198-47-0
MF:C17H11NO2
MW:261.274744272232
CID:609205
PubChem ID:71322612
Update Time:2025-04-19
Pyrene, 1-methyl-8-nitro- Chemical and Physical Properties
Names and Identifiers
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- Pyrene, 1-methyl-8-nitro-
- 1-methyl-8-nitropyrene
- DTXSID80752272
- 89198-47-0
-
- Inchi： 1S/C17H11NO2/c1-10-2-3-11-4-5-12-6-9-15(18(19)20)14-8-7-13(10)16(11)17(12)14/h2-9H,1H3
- InChI Key： DSPALPRHMGUNEF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=CC=C3C=CC(C)=C4C=CC=1C2=C43)=O
Computed Properties
- Exact Mass: 261.078978594g/mol
- Monoisotopic Mass: 261.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 404
- 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: 5.2
- Topological Polar Surface Area: 45.8?2
Pyrene, 1-methyl-8-nitro- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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