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6-Ethoxyquinazolin-4(3H)-one

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Name

6-Ethoxyquinazolin-4(3H)-one

EINECS N/A
CAS No. 155960-97-7 Density 1.278 g/cm3
PSA 54.98000 LogP 1.32180
Solubility N/A Melting Point N/A
Formula C10H10N2O2 Boiling Point 415.459 °C at 760 mmHg
Molecular Weight 190.1986 Flash Point 205.062 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 155960-97-7 (6-Ethoxyquinazolin-4(3H)-one) Hazard Symbols N/A
Synonyms

6-Ethoxy-1H-quinazolin-4-one;

 

6-Ethoxyquinazolin-4(3H)-one Specification

The CAS registry number of 6-Ethoxyquinazolin-4(3H)-one is 155960-97-7. Its molecular formula is C10H10N2O2 and molecular weight is 190.1986. Its IUPAC name is called 6-Ethoxy-1H-quinazolin-4-one.

Physical properties about 6-Ethoxyquinazolin-4(3H)-one are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.266; (4)ACD/LogD (pH 7.4): 1.266; (5)ACD/BCF (pH 5.5): 5.4; (6)ACD/BCF (pH 7.4): 5.4; (7)ACD/KOC (pH 5.5): 116.375; (8)ACD/KOC (pH 7.4): 116.367; (9)#H bond acceptors: 4(10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 51.695 cm3; (14)Molar Volume: 148.854 cm3; (15)Surface Tension: 46.015 dyne/cm; (16)Density: 1.278 g/cm3; (17)Flash Point: 205.062 °C; (18)Enthalpy of Vaporization: 66.855 kJ/mol; (19)Boiling Point: 415.459 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc2c(c1)c(=O)[nH]cn2
(2)InChI: InChI=1/C10H10N2O2/c1-2-14-7-3-4-9-8(5-7)10(13)12-6-11-9/h3-6H,2H2,1H3,(H,11,12,13)
(3)InChIKey: NWDVYRHGDRXTQY-UHFFFAOYAG

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