Cas no 26723-02-4 (Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, potassium salt (1:1))
26723-02-4 structure
Product Name:Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, potassium salt (1:1)
CAS No:26723-02-4
MF:C10H10ClKO3
MW:252.735903263092
CID:259617
PubChem ID:23696780
Update Time:2025-04-19
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, potassium salt (1:1)
- potassium,2-(4-chlorophenoxy)-2-methylpropanoate
- Potassium 2-(4-chlorophenoxy)-2-methylpropionate
- EINECS 247-943-6
- potassium-2-[p-chlorophenoxy] -2-methyl-propionate
- 26723-02-4
- DTXSID50181237
- NS00084003
-
- Inchi： 1S/C10H11ClO3.K/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;/h3-6H,1-2H3,(H,12,13);/q;+1/p-1
- InChI Key： QFJIKRKDNWYOEL-UHFFFAOYSA-M
- SMILES： [K+].ClC1C=CC(=CC=1)OC(C(=O)[O-])(C)C
Computed Properties
- Exact Mass: 251.9956
- Monoisotopic Mass: 251.995554
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 324.1°Cat760mmHg
- Flash Point: 149.8°C
- PSA: 49.36
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, potassium salt (1:1) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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