4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- supplier

Name
2-(2-METHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 181048-49-7
Article Data3
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point 218.6-222.0 °C(Solv: ethanol (64-17-5))
Formula C₁₇H₁₃NO₃
Boiling Point 451.8 °C at 760 mmHg
Molecular Weight 279.29
Flash Point 227 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(2-Methoxyphenyl)-4-quinolinecarboxylicacid;
PSA 59.42000
LogP 3.60860

4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- Specification

The CAS registry number of 4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- is 181048-49-7. This chemical's molecular formula is C₁₇H₁₃NO₃and molecular weight is 279.29. What's more, its IUPAC name is 2-(2-Methoxyphenyl)quinoline-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.99; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 80.38 cm³; (15)Molar Volume: 218.5 cm³; (16)Polarizability: 31.86×10^-24 cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 227 °C; (20)Enthalpy of Vaporization: 74.91 kJ/mol; (21)Boiling Point: 451.8 °C at 760 mmHg; (22)Vapour Pressure: 5.99E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c3ccccc3nc(c1)c2ccccc2OC
(2) InChI: InChI=1/C17H13NO3/c1-21-16-9-5-3-7-12(16)15-10-13(17(19)20)11-6-2-4-8-14(11)18-15/h2-10H,1H3,(H,19,20)
(3) InChIKey: FESGWXLVLIYOOB-UHFFFAOYAP

Product Name

2-(2-METHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID

4-Quinolinecarboxylicacid, 2-(2-methoxyphenyl)- Specification

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