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63744-92-3

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Basic Information
CAS No.: 63744-92-3
Name: 2-formylpentanenitrile
Molecular Structure:
Molecular Structure of 63744-92-3 (2-formylpentanenitrile)
Formula: C6H9NO
Molecular Weight: 111.1418
Synonyms: 2-formylpentanenitrile;
Density: 0.937 g/cm3
Boiling Point: 182.525 °C at 760 mmHg
Flash Point: 64.189 °C
PSA: 40.86000
LogP: 1.12518
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Specification

The Pentanenitrile, 2-formyl- is an organic compound with the formula C6H9NO. With the CAS registry number 63744-92-3, its systematic name is 2-formylpentanenitrile.

Physical properties of 2-formylpentanenitrile: (1)ACD/LogP: 0.59; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.418; (5)Molar Refractivity: 29.905 cm3; (6)Molar Volume: 118.654 cm3; (7)Surface Tension: 33.482 dyne/cm; (8)Density: 0.937 g/cm3; (9)Flash Point: 64.189 °C; (10)Enthalpy of Vaporization: 41.877 kJ/mol; (11)Boiling Point: 182.525 °C at 760 mmHg; (12)Vapour Pressure: 0.807 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(CCC)C=O
(2)InChI: InChI=1/C6H9NO/c1-2-3-6(4-7)5-8/h5-6H,2-3H2,1H3
(3)InChIKey: VUXYPZAXIFRMQU-UHFFFAOYAU