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76104-14-8

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Basic Information
CAS No.: 76104-14-8
Name: (Z,E)-2-(HYDROXYIMINO)-2-(4-METHOXYPHENYL)ACETONITRILE
Article Data: 5
Molecular Structure:
Molecular Structure of 76104-14-8 ((Z,E)-2-(HYDROXYIMINO)-2-(4-METHOXYPHENYL)ACETONITRILE)
Formula: C9H8N2O2
Molecular Weight: 176.175
Synonyms: a-Hydroxyimino-4-methoxybenzylcyanide;a-(Hydroxyimino)-4-methoxybenzeneacetonitrile;
Density: 1.149 g/cm3
Boiling Point: 332.539 °C at 760 mmHg
Flash Point: 154.914 °C
Hazard Symbols: IrritantXi
PSA: 65.61000
LogP: 1.39708
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Specification

The (E/Z)-2-(Hydroxyimino)-2-(4-methoxyphenyl)acetonitrile is an organic compound with the formula C9H8N2O2. The systematic name of this chemical is (2Z)-(hydroxyimino)(4-methoxyphenyl)ethanenitrile. With the CAS registry number 76104-14-8, it is also named as -(hydroxyimino)-2-(4-methoxyphenyl)ethanenitrile.

Physical properties about (E/Z)-2-(Hydroxyimino)-2-(4-methoxyphenyl)acetonitrile are: (1)ACD/LogP: 1.69; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 65.61 Å2; (6)Index of Refraction: 1.545; (7)Molar Refractivity: 48.496 cm3; (8)Molar Volume: 153.309 cm3; (9)Polarizability: 19.225×10-24cm3; (10)Surface Tension: 42.429 dyne/cm; (11)Density: 1.149 g/cm3; (12)Flash Point: 154.914 °C; (13)Enthalpy of Vaporization: 60.727 kJ/mol; (14)Boiling Point: 332.539 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(=N\O)c1ccc(OC)cc1
(2)InChI: InChI=1/C9H8N2O2/c1-13-8-4-2-7(3-5-8)9(6-10)11-12/h2-5,12H,1H3/b11-9+
(3)InChIKey: OBBCKURUVDIXIC-PKNBQFBNBI
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-13-8-4-2-7(3-5-8)9(6-10)11-12/h2-5,12H,1H3/b11-9+
(5)Std. InChIKey: OBBCKURUVDIXIC-PKNBQFBNSA-N