Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Hydroxy-4-methoxybenzonitrile |
EINECS | N/A |
CAS No. | 52805-46-6 | Density | 1.24 g/cm3 |
PSA | 53.25000 | LogP | 1.27248 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7NO2 | Boiling Point | 300.8 °C at 760 mmHg |
Molecular Weight | 149.149 | Flash Point | 135.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methoxy-5-cyanophenol; |
Article Data | 29 |
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