Cas no 62677-55-8 (1-Naphthalenecarbonitrile, 4-ethoxy-)
62677-55-8 structure
Product Name:1-Naphthalenecarbonitrile, 4-ethoxy-
CAS No:62677-55-8
MF:C13H11NO
MW:197.232543230057
CID:435592
PubChem ID:53485663
Update Time:2025-04-19
1-Naphthalenecarbonitrile, 4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile, 4-ethoxy-
- 4-ethoxynaphthalene-1-carbonitrile
- FT-0721177
- 62677-55-8
- DTXSID10704749
- 4-Ethoxy-1-naphthonitrile
-
- Inchi： 1S/C13H11NO/c1-2-15-13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,2H2,1H3
- InChI Key： ZJHYSAFNOZMGDG-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(C#N)=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 197.08413
- Monoisotopic Mass: 197.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 3.2
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
1-Naphthalenecarbonitrile, 4-ethoxy- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
62677-55-8 (1-Naphthalenecarbonitrile, 4-ethoxy-) Related Products
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