Name: 4-Methoxy-2-methylphenylacetonitrile
SKU: 262298-02-2

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Basic Information

Molecular Structure:
CAS No.:	262298-02-2
Name:	4-Methoxy-2-methylphenylacetonitrile
Article Data:	4

Formula:	C₁₀H₁₁NO
Molecular Weight:	161.203
Synonyms:	(4-Methoxy-2-methylphenyl)acetonitrile;2-Methyl-4-methoxyphenylacetonitrile;benzeneacetonitrile, 4-methoxy-2-methyl-;
Density:	1.034 g/cm³
Boiling Point:	291.402 °C at 760 mmH
Flash Point:	122.633 °C
Hazard Symbols:	Xi
PSA:	33.02000
LogP:	2.06968

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Specification

The 4-Methoxy-2-methylphenylacetonitrile, with the CAS registry number 262298-02-2, has the systematic name of (4-methoxy-2-methylphenyl)acetonitrile. The molecular formula of the chemical is C₁₀H₁₁NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.02 Å²; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 47.21 cm³; (9)Molar Volume: 155.9 cm³; (10)Polarizability: 18.71×10^-24cm³; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.033 g/cm³; (13)Flash Point: 122.6 °C; (14)Enthalpy of Vaporization: 53.08 kJ/mol; (15)Boiling Point: 291.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00195 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCc1c(cc(OC)cc1)C
(2)InChI: InChI=1/C10H11NO/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-4,7H,5H2,1-2H3
(3)InChIKey: IXOPCMZOHYZDMX-UHFFFAOYAG