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Basic Information
CAS No.: 61363-66-4
Name: (2-Oxo-propoxy)-acetic acid methyl ester
Molecular Structure:
Molecular Structure of 61363-66-4 ((2-Oxo-propoxy)-acetic acid methyl ester)
Formula: C6H10O4
Molecular Weight: 146.143
Synonyms: Methyl 2-(2-Oxopropoxy)acetate;Methyl (2-oxopropoxy)acetate;Acetic acid, 2-(2-oxopropoxy)-, methyl ester;
Density: 1.086 g/cm3
Boiling Point: 221.57 °C at 760 mmHg
Flash Point: 90.6 °C
PSA: 52.60000
LogP: -0.23500
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Specification

The (2-Oxo-propoxy)-acetic acid methyl ester, with the CAS registry number 61363-66-4, is also known as Methyl (2-oxopropoxy)acetate. This chemical's molecular formula is C6H10O4 and molecular weight is 146.14. What's more, its IUPAC name is called Methyl 2-(2-Oxopropoxy)acetate.

Physical properties about (2-Oxo-propoxy)-acetic acid methyl ester are: (1)ACD/LogP: -0.27; (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): 27; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 33.396 cm3; (15)Molar Volume: 134.54 cm3; (16)Surface Tension: 32.134 dyne/cm; (17)Density: 1.086 g/cm3; (18)Flash Point: 90.6 °C; (19)Enthalpy of Vaporization: 45.802 kJ/mol; (20)Boiling Point: 221.57 °C at 760 mmHg; (21)Vapour Pressure: 0.106 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(COCC(=O)OC)C
(2) InChI: InChI=1S/C6H10O4/c1-5(7)3-10-4-6(8)9-2/h3-4H2,1-2H3
(3) InChIKey: NHVGUHQBLOOYQG-UHFFFAOYSA-N