The 3-Methyl-5-nitrophenol with the cas number 127818-58-0 is also called Phenol,3-methyl-5-nitro-. Its molecular formula is C7H7NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 39.5 cm3; (9)Molar Volume: 115.9 cm3; (10)Polarizability: 15.66×10-24cm3; (11)Surface Tension: 54.7 dyne/cm; (12)Enthalpy of Vaporization: 55.68 kJ/mol; (13)Vapour Pressure: 0.000853 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(O)c1)C
(2)InChI: InChI=1/C7H7NO3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3
(3)InChIKey: KDKCEPVMXOUFJD-UHFFFAOYAU
|