Cas no 139-84-4 (Phenol, 3-nonyl-)
Phenol, 3-nonyl- structure
Product Name:Phenol, 3-nonyl-
Phenol, 3-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-nonyl-
- m-Nonylphenol
- 3-Nonylphenol
- EINECS 205-376-1
- CHEMBL454290
- EINECS 234-284-4
- Phenol, isononyl-
- 139-84-4
- NS00042044
- SCHEMBL649958
- UNII-343WVX6LH6
- A15227
- Q27256329
- 343WVX6LH6
- DTXSID00864306
-
- Inchi： 1S/C15H24O/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14/h9,11-13,16H,2-8,10H2,1H3
- InChI Key： QWGLNWHWBCINBS-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)CCCCCCCCC
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 156
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: nothing
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Density: 0.932
- Boiling Point: 331.8°Cat760mmHg
- Flash Point: 185.1°C
- PSA: 20.23
Phenol, 3-nonyl- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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