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58613-67-5

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Basic Information
CAS No.: 58613-67-5
Name: potassium phenoxyacetate
Molecular Structure:
Molecular Structure of 58613-67-5 (potassium phenoxyacetate)
Formula: C8H8O3.K
Molecular Weight: 190.24
Synonyms: Aceticacid, phenoxy-, potassium salt (9CI);Potassium phenoxyacetate;AKOS003052862;CID3017120;
EINECS: 261-366-7
Boiling Point: 285 °C at 760 mmHg
Flash Point: 115.1 °C
PSA: 49.36000
LogP: -0.18470
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    potassium phenoxyacetate

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Specification

The Acetic acid,2-phenoxy-, potassium salt (1:1) with CAS registry number of 58613-67-5 is also known as Potassium phenoxyacetate. The IUPAC name is Potassium 2-phenoxyacetate. Its EINECS registry number is 261-366-7. In addition, the formula is C8H8O3.K and the molecular weight is 191.24.

Physical properties about Acetic acid,2-phenoxy-, potassium salt (1:1) are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -2.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53Å2; (13)Flash Point: 115.1 °C; (14)Enthalpy of Vaporization: 55.35 kJ/mol; (15)Boiling Point: 285 °C at 760 mmHg; (16)Vapour Pressure: 0.00135 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [K+].[O-]C(=O)COc1ccccc1
2. InChI: InChI=1/C8H8O3.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
3. InChIKey: FQOIDRRUJJTVSV-REWHXWOFAI
4. Std. InChI: InChI=1S/C8H8O3.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
5. Std. InChIKey: FQOIDRRUJJTVSV-UHFFFAOYSA-M