Cas no 32314-53-7 (Benzoic acid,4-hydroxy-, 2-methylpropyl ester, potassium salt (1:1))
32314-53-7 structure
Product Name:Benzoic acid,4-hydroxy-, 2-methylpropyl ester, potassium salt (1:1)
CAS No:32314-53-7
MF:C11H13KO3
MW:232.317424535751
CID:311300
PubChem ID:23696795
Update Time:2025-04-19
Benzoic acid,4-hydroxy-, 2-methylpropyl ester, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-hydroxy-, 2-methylpropyl ester, potassium salt (1:1)
- potassium,4-(2-methylpropoxycarbonyl)phenolate
- potassium 4-[(2-methylpropoxy)carbonyl]phenolate
- Potassium isobutyl 4-oxidobenzoate
- EINECS 250-985-8
- 32314-53-7
- DTXSID90186049
-
- Inchi： 1S/C11H14O3.K/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9;/h3-6,8,12H,7H2,1-2H3;/q;+1/p-1
- InChI Key： LMLSNCAFLAVBLE-UHFFFAOYSA-M
- SMILES： [K+].O(C(C1C=CC(=CC=1)[O-])=O)CC(C)C
Computed Properties
- Exact Mass: 232.05019
- Monoisotopic Mass: 232.050176
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- 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
Experimental Properties
- Boiling Point: 302.3°Cat760mmHg
- Flash Point: 125.4°C
- PSA: 49.36
Benzoic acid,4-hydroxy-, 2-methylpropyl ester, potassium salt (1:1) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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