3-Hydroxy-4-methoxybenzonitrile supplier

Name
3-Hydroxy-4-methoxybenzonitrile
EINECS
CAS No. 52805-46-6
Article Data29
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₂
Boiling Point 300.8 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 135.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methoxy-5-cyanophenol;
PSA 53.25000
LogP 1.27248

3-Hydroxy-4-methoxybenzonitrile Specification

This chemical has the systematic name 3-Hydroxy-4-methoxybenzonitrile. With the CAS registry number 52805-46-6, it is also known as Benzonitrile, 3-hydroxy-4-methoxy-. Its molecular formula is C₈H₇NO₂ and its molecular weight is 149.15. Additionally, its product categor y is Aromatic Nitriles.

Other characteristics of the 3-Hydroxy-4-methoxybenzonitrile can be summarised as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.25 Å²; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 39.21 cm³; (9)Molar Volume: 119.7 cm³; (10)Polarizability: 15.54×10^-24cm³; (11)Surface Tension: 55.4 dyne/cm; (12)Density: 1.24 g/cm³; (13)Flash Point: 135.7 °C; (14)Enthalpy of Vaporization: 56.26 kJ/mol; (15)Boiling Point: 300.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000613 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccc(OC)c(O)c1
2.InChI: InChI=1/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
3.InChIKey: ASQHIJLQYYFUDN-UHFFFAOYAF

Product Name

3-Hydroxy-4-methoxybenzonitrile

3-Hydroxy-4-methoxybenzonitrile Specification

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