Cas no 91804-23-8 (2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester)
91804-23-8 structure
Product Name:2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester
CAS No:91804-23-8
MF:C13H9NO2
MW:211.216063261032
CID:803667
PubChem ID:53436947
Update Time:2025-04-19
2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester
- METHYL 5-CYANO-2-NAPHTHOATE
- methyl 5-cyanonaphthalene-2-carboxylate
- 5-cyanonaphthalene-2-carboxylic acid methyl ester
- 91804-23-8
- DTXSID60700973
- A860224
- AB44561
- METHYL5-CYANO-2-NAPHTHOATE
- 2-Naphthalenecarboxylicacid,5-cyano-,methyl ester
-
- Inchi： 1S/C13H9NO2/c1-16-13(15)10-5-6-12-9(7-10)3-2-4-11(12)8-14/h2-7H,1H3
- InChI Key： DCWCNMSLTJKVOY-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C2C(C#N)=CC=CC2=C1)=O
Computed Properties
- Exact Mass: 211.06300
- Monoisotopic Mass: 211.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 317
- 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
- Topological Polar Surface Area: 50.1A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 50.09000
- LogP: 2.49808
2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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