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17647-93-7

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Basic Information
CAS No.: 17647-93-7
Name: potassium 3-phenylpyruvate
Article Data: 1
Molecular Structure:
Molecular Structure of 17647-93-7 (potassium 3-phenylpyruvate)
Formula: C9H7KO3
Molecular Weight: 202.251
Synonyms: Potassium 3-phenylpyruvate;
EINECS: 241-630-8
Boiling Point: 299.1 °C at 760 mmHg
Flash Point: 148.9 °C
PSA: 57.20000
LogP: -0.45190
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Specification

This chemical is called Potassium 3-phenylpyruvate, and its CAS registry number is 17647-93-7. With the molecular formula of C9H7KO3, its molecular weight is 202.25.

Other characteristics of the Potassium 3-phenylpyruvate can be summarised as followings: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.18; (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: 54.37 Å2; (13)Flash Point: 148.9 °C; (14)Enthalpy of Vaporization: 56.92 kJ/mol; (15)Boiling Point: 299.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000546 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [K+].O=C(C([O-])=O)Cc1ccccc1
2.InChI: InChI=1/C9H8O3.K/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1
3.InChIKey: WFKKYCVCTIWUJJ-REWHXWOFAK