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84208-39-9

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Basic Information
CAS No.: 84208-39-9
Name: methyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate
Molecular Structure:
Molecular Structure of 84208-39-9 (methyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate)
Formula: C5H6ClNO4
Molecular Weight: 179.56
Synonyms: Methyl (2-hydroxyimino)-3-oxo-4-chlorobutyrate;Methyl 4-chloro-2-(hydroxyimino)-3-ketobutyrate;Methyl 4-chloro-2-(hydroxyimino)acetoacetate;Methyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate;
EINECS: 282-440-5
Density: 1.44 g/cm3
Boiling Point: 290.9 °C at 760 mmHg
Flash Point: 129.7 °C
PSA: 75.96000
LogP: -0.20250
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Specification

The Butanoic acid,4-chloro-2-(hydroxyimino)-3-oxo-, methyl ester, with the CAS registry number 84208-39-9, is also known as Methyl (2-hydroxyimino)-3-oxo-4-chlorobutyrate. Its EINECS number is 282-440-5. This chemical's molecular formula is C5H6ClNO4 and molecular weight is 179.56. What's more, its systematic name is Methyl 4-chloro-2-(hydroxyimino)-3-oxobutyrate.

Physical properties of Butanoic acid,4-chloro-2-(hydroxyimino)-3-oxo-, methyl ester are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 75.96 Å2; (6)Index of Refraction: 1.506; (7)Molar Refractivity: 36.99 cm3; (8)Molar Volume: 124.4 cm3; (9)Polarizability: 14.66×10-24cm3; (10)Surface Tension: 46.3 dyne/cm; (11)Density: 1.44 g/cm3; (12)Flash Point: 129.7 °C; (13)Enthalpy of Vaporization: 61.53 kJ/mol; (14)Boiling Point: 290.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000219 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C(=NO)C(=O)CCl
(2)InChI: InChI=1S/C5H6ClNO4/c1-11-5(9)4(7-10)3(8)2-6/h10H,2H2,1H3
(3)InChIKey: KLGXQPPSXDXRGK-UHFFFAOYSA-N