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7-Methoxy-4-quinolinol

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Name

7-Methoxy-4-quinolinol

EINECS -0
CAS No. 82121-05-9 Density 1.258 g/cm3
PSA 42.35000 LogP 1.94900
Solubility N/A Melting Point 75-77 °C
Formula C10H9NO2 Boiling Point 351.846 °C at 760 mmHg
Molecular Weight 175.187 Flash Point 166.591 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 82121-05-9 (7-Methoxy-4-quinolinol) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

4-Hydroxy-7-methoxyquinoline;

Article Data 26

7-Methoxy-4-quinolinol Specification

The IUPAC name of 7-Methoxy-4-quinolinol is 7-methoxy-1H-quinolin-4-one. With the CAS registry number 82121-05-9, it is also named as 4-Quinolinol, 7-methoxy-. The product's categories are Alkoxyquinolines; Hydroxyquinolines; Quinolines; Chemical Synthesis; Heterocyclic Building Blocks; Heterocyclic Building Blocks Building Blocks; New Products for Chemical Synthesis. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 50.747 cm3; (12)Molar Volume: 139.205 cm3; (13)Polarizability: 20.118×10-24 cm3; (14)Surface Tension: 53.759 dyne/cm; (15)Enthalpy of Vaporization: 62.015 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Tautomer Count: 3; (19)Exact Mass: 175.063329; (20)MonoIsotopic Mass: 175.063329; (21)Topological Polar Surface Area: 38.3; (22)Heavy Atom Count: 13; (23)Complexity: 237.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to respiratory system and skin. And it also has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:COc1ccc2c(ccnc2c1)O
2. InChI:InChI=1/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
3. InChIKey:NQUPXNZWBGZRQX-UHFFFAOYAK

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