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3,3-Dimethoxy-2-propenenitrile

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Name

3,3-Dimethoxy-2-propenenitrile

EINECS N/A
CAS No. 15732-02-2 Density 1.022 g/cm3
PSA 42.25000 LogP 0.64418
Solubility N/A Melting Point 41.5-42 °C
Formula C5H7NO2 Boiling Point 230.8 °C at 760 mmHg
Molecular Weight 113.116 Flash Point 107.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15732-02-2 (3,3-Dimethoxy-2-propenenitrile) Hazard Symbols N/A
Synonyms

Acrylonitrile,3-oxo-, dimethyl acetal (8CI);Cyanoketene dimethyl acetal;

Article Data 6

3,3-Dimethoxy-2-propenenitrile Specification

The 3,3-Dimethoxy-2-propenenitrile, its cas register number is 15732-02-2. It also can be called as Cyanoketene dimethyl acetal and the Systematic name about this chemical is 3,3-dimethoxyprop-2-enenitrile.

Physical properties about 3,3-Dimethoxy-2-propenenitrile are: (1)ACD/LogP: 0.10; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.09; (7)ACD/KOC (pH 7.4): 27.09; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.25Å2; (11)Index of Refraction: 1.429; (12)Molar Refractivity: 28.51 cm3; (13)Molar Volume: 110.5 cm3; (14)Polarizability: 11.3X10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Enthalpy of Vaporization: 46.75 kJ/mol; (17)Vapour Pressure: 0.0645 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C=C(/OC)OC
(2)InChI: InChI=1/C5H7NO2/c1-7-5(8-2)3-4-6/h3H,1-2H3
(3)InChIKey: AGNINIWJJIXFSX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H7NO2/c1-7-5(8-2)3-4-6/h3H,1-2H3
(5)Std. InChIKey: AGNINIWJJIXFSX-UHFFFAOYSA-N

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