4-Hydroxy-benzo[h]quinoline-3-carboxylic acid supplier

Name
4-HYDROXY-BENZO[H]QUINOLINE-3-CARBOXYLIC ACID
EINECS
CAS No. 35957-14-3
Density 1.437 g/cm³
Solubility
Melting Point 291-292 °C (decomp)
Formula C₁₄H₉NO₃
Boiling Point 458.4 °C at 760 mmHg
Molecular Weight 239.23
Flash Point 231 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid;Benzo[h]quinoline-3-carboxylic acid, 1,4-dihydro-4-oxo-;
PSA 70.42000
LogP 2.79180

4-Hydroxy-benzo[h]quinoline-3-carboxylic acid Specification

The Benzo[h]quinoline-3-carboxylicacid, 4-hydroxy-, with the CAS registry number 35957-14-3, has the systematic name of 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid. It is also called 4-oxo-1H-benzo[h]quinoline-3-carboxylic acid. And the molecular formula of the chemical is C₁₄H₉NO₃.

The characteristics of Benzo[h]quinoline-3-carboxylicacid, 4-hydroxy- are as followings: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 3.14; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 15.28; (8)ACD/KOC (pH 7.4): 6.99; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 65.45 cm³; (15)Molar Volume: 166.4 cm³; (16)Polarizability: 25.94×10^-24cm³; (17)Surface Tension: 67.4 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 231 °C; (20)Enthalpy of Vaporization: 75.73 kJ/mol; (21)Boiling Point: 458.4 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\3c2c(c1ccccc1cc2)N/C=C/3C(=O)O
(2)InChI: InChI=1/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
(3)InChIKey: QGOKEDVMXJBTAR-UHFFFAOYAC

Product Name

4-HYDROXY-BENZO[H]QUINOLINE-3-CARBOXYLIC ACID

4-Hydroxy-benzo[h]quinoline-3-carboxylic acid Specification

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