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Ethoxyiminoacetic acid ethyl ester

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Name

Ethoxyiminoacetic acid ethyl ester

EINECS N/A
CAS No. 816-27-3 Density 1.081 g/cm3
PSA 59.38000 LogP 0.66300
Solubility N/A Melting Point N/A
Formula C6H11NO3 Boiling Point 151.068 °C at 760 mmHg
Molecular Weight 145.158 Flash Point 45.165 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 816-27-3 (ETHOXY-IMINO-ACETIC ACID ETHYL ESTER) Hazard Symbols Xn
Synonyms

2-Ethoxy-2-iminoacetic acid ethyl ester;

Article Data 13

Ethoxyiminoacetic acid ethyl ester Specification

The Ethyl 2-ethoxy-2-iminoacetate, with the CAS registry number 816-27-3, is also known as 2-Ethoxy-2-iminoacetic acid ethyl ester. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.16. What's more, its systematic name is called Ethyl ethoxy(imino)acetate.

Physical properties about Ethyl 2-ethoxy-2-iminoacetate are: (1) ACD/LogP: 0.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 2; (6) ACD/BCF (pH 7.4): 2; (7) ACD/KOC (pH 5.5): 64; (8) ACD/KOC (pH 7.4): 65; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 59.38 Å2; (13) Index of Refraction: 1.44; (14) Molar Refractivity: 35.368 cm3; (15) Molar Volume: 134.272 cm3; (16) Surface Tension: 33.126 dyne/cm; (17) Density: 1.081 g/cm3; (18) Flash Point: 45.165 °C; (19) Enthalpy of Vaporization: 38.793 kJ/mol; (20) Boiling Point: 151.068 °C at 760 mmHg; (21) Vapour Pressure: 3.729 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=N)C(=O)OCC
(2) InChI: InChI=1/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3
(3) InChIKey: DSHWMBCJDOGPTB-UHFFFAOYAT

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