Cas no 39617-08-8 (sodium 2-phenoxyisobutyrate)
sodium 2-phenoxyisobutyrate structure
Product Name:sodium 2-phenoxyisobutyrate
CAS No:39617-08-8
MF:C10H11NaO3
MW:202.182314157486
CID:924759
PubChem ID:23684560
Update Time:2025-04-19
sodium 2-phenoxyisobutyrate Chemical and Physical Properties
Names and Identifiers
-
- sodium 2-phenoxyisobutyrate
- sodium,2-methyl-2-phenoxypropanoate
- PROPANOIC ACID, 2-METHYL-2-PHENOXY-, SODIUM SALT
- SODIUM 2-METHYL-2-PHENOXYPROPANOATE
- 2-METHYL-2-PHENOXY-PROPANOIC ACID, SODIUM SALT
- HLM3B417FT
- AKOS025296165
- EINECS 254-545-6
- DTXSID90192726
- SCHEMBL7033474
- HGCUZGSFLPWWFT-UHFFFAOYSA-M
- UNII-HLM3B417FT
- NS00089620
- Q27279990
- PROPANOIC ACID, 2-METHYL-2-PHENOXY-, SODIUM SALT (1:1)
- sodium;2-methyl-2-phenoxypropanoate
- 39617-08-8
-
- Inchi： 1S/C10H12O3.Na/c1-10(2,9(11)12)13-8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
- InChI Key： HGCUZGSFLPWWFT-UHFFFAOYSA-M
- SMILES： [Na+].O(C1C=CC=CC=1)C(C(=O)[O-])(C)C
Computed Properties
- Exact Mass: 202.06063
- Monoisotopic Mass: 202.06058849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 186
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.36
sodium 2-phenoxyisobutyrate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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