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65868-37-3

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Basic Information
CAS No.: 65868-37-3
Name: 3-Chloropyruvic acid ethyl ester
Molecular Structure:
Molecular Structure of 65868-37-3 (3-Chloropyruvic acid ethyl ester)
Formula: C5H7ClO3
Molecular Weight: 150.562
Synonyms: Propanoic acid, 3-chloro-2-oxo-, ethyl ester;
Density: 1.224 g/cm3
Boiling Point: 184.657 °C at 760 mmHg
Flash Point: 76.051 °C
PSA: 43.37000
LogP: 0.35740
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Specification

The 3-Chloropyruvic acid ethyl ester, with the CAS registry number 65868-37-3, is also known as Propanoic acid, 3-chloro-2-oxo-, ethyl ester. This chemical's molecular formula is C5H7ClO3 and molecular weight is 150.5603. What's more, its systematic name is Ethyl 3-chloro-2-oxopropanoate.

Physical properties about 3-Chloropyruvic acid ethyl ester are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 31.867 cm3; (15)Molar Volume: 123.056 cm3; (16)Polarizability: 12.633×10-24 cm3; (17)Surface Tension: 35.003 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 76.051 °C; (20)Enthalpy of Vaporization: 42.089 kJ/mol; (21)Boiling Point: 184.657 °C at 760 mmHg; (22)Vapour Pressure: 0.725 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)C(=O)OCC
(2) InChI: InChI=1/C5H7ClO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
(3) InChIKey: OIQULCHHLQEWPS-UHFFFAOYAC