CAS No.816-27-3,ETHOXY-IMINO-ACETIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	816-27-3
Name:	ETHOXY-IMINO-ACETIC ACID ETHYL ESTER
Article Data:	13

Formula:	C₆H₁₁NO₃
Molecular Weight:	145.158
Synonyms:	2-Ethoxy-2-iminoacetic acid ethyl ester;
Density:	1.081 g/cm³
Boiling Point:	151.068 °C at 760 mmHg
Flash Point:	45.165 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	59.38000
LogP:	0.66300

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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