Cas no 83536-57-6 (pyrene-2-carbonitrile)
pyrene-2-carbonitrile structure
Product Name:pyrene-2-carbonitrile
pyrene-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- pyrene-2-carbonitrile
- 83536-57-6
- PYRENECARBONITRILE
- DTXSID601003528
- 2-Cyanopyrene
- SCHEMBL5750960
-
- Inchi： 1S/C17H9N/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9H
- InChI Key： OMIHXOAMBGZVHH-UHFFFAOYSA-N
- SMILES： N#CC1C=C2C=CC3=CC=CC4=CC=C(C=1)C2=C34
Computed Properties
- Exact Mass: 227.073499291g/mol
- Monoisotopic Mass: 227.073499291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 352
- 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: 4.7
- Topological Polar Surface Area: 23.8?2
pyrene-2-carbonitrile Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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