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6952-34-7

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Basic Information
CAS No.: 6952-34-7
Name: 2-(4-HYDROXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID
Article Data: 11
Molecular Structure:
Molecular Structure of 6952-34-7 (2-(4-HYDROXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID)
Formula: C16H11NO3
Molecular Weight: 265.268
Synonyms: Cinchoninicacid, 2-(p-hydroxyphenyl)- (7CI,8CI);2-(4-Hydroxyphenyl)quinoline-4-carboxylicacid;4'-Hydroxycinchophen;NSC 61819;2-(4-hydroxyphenyl)quinoline-4-carboxylic acid;4-Quinolinecarboxylic acid, 2-(4-hydroxyphenyl)-;
Density: 1.374 g/cm3
Boiling Point: 500.997 °C at 760 mmHg
Flash Point: 256.794 °C
PSA: 70.42000
LogP: 3.30560
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Specification

The 4-Quinolinecarboxylicacid, 2-(4-hydroxyphenyl)-, with the CAS registry number 6952-34-7, has the systematic name of 2-(4-hydroxyphenyl)quinoline-4-carboxylic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C16H11NO3.

The characteristics of 4-Quinolinecarboxylicacid, 2-(4-hydroxyphenyl)- are as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.42 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 75.59 cm3; (15)Molar Volume: 193.017 cm3; (16)Polarizability: 29.966×10-24cm3; (17)Surface Tension: 68.729 dyne/cm; (18)Density: 1.374 g/cm3; (19)Flash Point: 256.794 °C; (20)Enthalpy of Vaporization: 81.056 kJ/mol; (21)Boiling Point: 500.997 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1cc(nc2ccccc12)c3ccc(O)cc3
(2)InChI: InChI=1/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)
(3)InChIKey: KXZJHVJKXJLBKO-UHFFFAOYAR