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135086-35-0

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Basic Information
CAS No.: 135086-35-0
Name: 2-methoxyacetonitrile
Molecular Structure:
Molecular Structure of 135086-35-0 (2-methoxyacetonitrile)
Formula: C3H5NO
Molecular Weight: 71.08
Synonyms: Acetonitrile, methoxy-;Methylene, cyanomethoxy-;2-Methoxyacetonitrile;Methoxyacetonitrile;
Density: 0.913 g/cm3
Boiling Point: 115.7 °C at 760 mmHg
Flash Point: 31.7 °C
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    2-methoxyacetonitrile

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Specification

 The Acetonitrile, 2-methoxy-, with the CAS registry number 135086-35-0, is also known as 2-Methoxyacetonitrile. This chemical's molecular formula is C3H5NO and molecular weight is 71.08. What's more, its systematic name is methoxyacetonitrile.

Physical properties of Acetonitrile, 2-methoxy- are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.16; (8)ACD/KOC (pH 7.4): 11.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.37; (14)Molar Refractivity: 17.6 cm3; (15)Molar Volume: 77.8 cm3; (16)Polarizability: 6.97×10-24cm3; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.913 g/cm3; (19)Flash Point: 31.7 °C; (20)Enthalpy of Vaporization: 35.41 kJ/mol; (21)Boiling Point: 115.7 °C at 760 mmHg; (22)Vapour Pressure: 18.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCOC
(2)InChI: InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
(3)InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N