4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)- supplier

Name
2-(3,4-DIMETHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 133676-16-1
Article Data10
CAS DataBase
Density 1.275 g/cm³
Solubility
Melting Point 232-234 °C (decomp)
Formula C₁₈H₁₅NO₄
Boiling Point 494.6 °C at 760 mmHg
Molecular Weight 309.321
Flash Point 253 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3,4-Dimethoxyphenyl)-4-quinolinecarboxylic acid;
PSA 68.65000
LogP 3.61720

4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)- Specification

The 4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)-, with the CAS registry number of 133676-16-1, is also known as 2-(3,4-Dimethoxyphenyl)-4-quinolinecarboxylic acid. Its molecular formula is C₁₈H₁₅NO₄ and molecular weight is 309.32. What's more, its IUPAC name is 2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid.

Physical properties about the 4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.14; (8)ACD/KOC (pH 7.4): 1.35; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.65 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 87.06 cm³; (15)Molar Volume: 242.5 cm³; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.275 g/cm³; (18)Flash Point: 253 °C; (19)Enthalpy of Vaporization: 80.25 kJ/mol; (20)Boiling Point: 494.6 °C at 760 mmHg; (21)Vapour Pressure: 1.33E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c3ccccc3nc(c1)c2ccc(OC)c(OC)c2
(2) InChI: InChI=1/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
(3) InChIKey: XJSXKUVHNQWOPH-UHFFFAOYAN

Product Name

2-(3,4-DIMETHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID

4-Quinolinecarboxylicacid, 2-(3,4-dimethoxyphenyl)- Specification

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