Cas no 61469-66-7 (9,10-Phenanthrenedicarbonitrile, 3-methoxy-)
61469-66-7 structure
Product Name:9,10-Phenanthrenedicarbonitrile, 3-methoxy-
CAS No:61469-66-7
MF:C17H10N2O
MW:258.27410364151
CID:478164
PubChem ID:71395558
Update Time:2025-04-19
9,10-Phenanthrenedicarbonitrile, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Phenanthrenedicarbonitrile, 3-methoxy-
- 3-methoxyphenanthrene-9,10-dicarbonitrile
- DTXSID70817167
- 61469-66-7
-
- Inchi： 1S/C17H10N2O/c1-20-11-6-7-14-15(8-11)12-4-2-3-5-13(12)16(9-18)17(14)10-19/h2-8H,1H3
- InChI Key： GGGKKYDPFIDSTB-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2=C(C#N)C(C#N)=C3C=CC=CC3=C2C=1
Computed Properties
- Exact Mass: 258.0794
- Monoisotopic Mass: 258.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 456
- 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: 3.8
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
9,10-Phenanthrenedicarbonitrile, 3-methoxy- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
61469-66-7 (9,10-Phenanthrenedicarbonitrile, 3-methoxy-) Related Products
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