Quinazoline-6-carboxylic acid (676326-53-7)

The Quinazoline-6-carboxylic acid with cas registry number of 676326-53-7, belongs to the following product categories: (1)pyrimidine; (2)chiral chemicals. And it has the systematic name of quinazoline-6-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.56; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å²; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 47.2 cm³; (13)Molar Volume: 122.5 cm³; (14)Polarizability: 18.71×10^-24cm³; (15)Surface Tension: 75.7 dyne/cm; (16)Enthalpy of Vaporization: 63.85 kJ/mol; (17)Vapour Pressure: 8.55E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: OC(=O)c1cc2cncnc2cc1;
(2)InChI: InChI=1/C9H6N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h1-5H,(H,12,13);
(3)InChIKey: WWABBFPTGJZEDN-UHFFFAOYAA;
(4)Std. InChI: InChI=1S/C9H6N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h1-5H,(H,12,13);
(5)Std. InChIKey: WWABBFPTGJZEDN-UHFFFAOYSA-N