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128740-03-4

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Basic Information
CAS No.: 128740-03-4
Name: Ethyl allylformylmethylcarbamate
Article Data: 6
Molecular Structure:
Molecular Structure of 128740-03-4 (Ethyl allylformylmethylcarbamate)
Formula: C8H13NO3
Molecular Weight: 171.196
Synonyms: Ethyl allyl(2-oxoethyl)carbamate;
Density: 1.046 g/cm3
Boiling Point: 229.908 °C at 760 mmHg
Flash Point: 92.845 °C
PSA: 46.61000
LogP: 0.82980
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Specification

The Ethyl allylformylmethylcarbamate, with the CAS registry number 128740-03-4, is also known as Ethyl allyl(2-oxoethyl)carbamate. This chemical's molecular formula is C8H13NO3 and molecular weight is 171.1937. What's more, its systematic name is Ethyl (2-oxoethyl)prop-2-en-1-ylcarbamate.

Physical properties about Ethyl allylformylmethylcarbamate are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 182; (8)ACD/KOC (pH 7.4): 182; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 44.52 cm3; (15)Molar Volume: 163.737 cm3; (16)Polarizability: 17.649×10-24 cm3; (17)Surface Tension: 35.167 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 92.845 °C; (20)Enthalpy of Vaporization: 46.653 kJ/mol; (21)Boiling Point: 229.908 °C at 760 mmHg; (22)Vapour Pressure: 0.068 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCN(CC=C)C(=O)OCC
(2) InChI: InChI=1/C8H13NO3/c1-3-5-9(6-7-10)8(11)12-4-2/h3,7H,1,4-6H2,2H3
(3) InChIKey: IQQODTFRDRREIO-UHFFFAOYAK