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Quinazoline-6-carboxylic acid

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Name

Quinazoline-6-carboxylic acid

EINECS N/A
CAS No. 676326-53-7 Density 1.421g/cm3
PSA 63.08000 LogP 1.32800
Solubility N/A Melting Point N/A
Formula C9H6N2O2 Boiling Point 359.5 °C at 760 mmHg
Molecular Weight 174.159 Flash Point 171.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 676326-53-7 (6-Quinazolinecarboxylic acid (9CI)) Hazard Symbols N/A
Synonyms

Quinazoline-6-carboxylic acid;quinazoline-6-carboxylic acid;

Article Data 2

Quinazoline-6-carboxylic acid Specification

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

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