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577728-29-1

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Basic Information
CAS No.: 577728-29-1
Name: 6-Ethoxy-7-Methoxyquinazoline-4-One
Article Data: 3
Molecular Structure:
Molecular Structure of 577728-29-1 (6-Ethoxy-7-Methoxyquinazoline-4-One)
Formula: C11H12N2O3
Molecular Weight: 220.228
Synonyms: 4(1H)-Quinazolinone,6-ethoxy-7-methoxy- (9CI);6-Ethoxy-7-methoxyquinazolin-4(3H)-one;
Density: 1.291 g/cm3
Boiling Point: 383.418 °C at 760 mmHg
Flash Point: 185.685 °C
PSA: 64.21000
LogP: 1.33040
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Specification

The CAS register number of 6-ethoxy-7-methoxyquinazolin-4(1H)-one is 577728-29-1. It also can be called as 4(3H)-Quinazolinone,6-ethoxy-7-methoxy- and the systematic name about this chemical is 6-ethoxy-7-methoxyquinazolin-4(1H)-one. The molecular formula about this chemical is C11H12N2O3 and the molecular weight is 220.22458. It belongs to the Ethoxy.

Physical properties about 6-ethoxy-7-methoxyquinazolin-4(1H)-one are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 135; (7)ACD/KOC (pH 7.4): 135; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 59.92Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 57.508 cm3; (14)Molar Volume: 170.634 cm3; (15)Polarizability: 22.798x10-24cm3; (16)Surface Tension: 43.396 dyne/cm; (17)Enthalpy of Vaporization: 63.196 kJ/mol; (18)Boiling Point: 383.418 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc2c(cc1OC)[nH]cnc2=O
(2)InChI: InChI=1/C11H12N2O3/c1-3-16-10-4-7-8(5-9(10)15-2)12-6-13-11(7)14/h4-6H,3H2,1-2H3,(H,12,13,14)
(3)InChIKey: LWYYBCHNCHYKFF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H12N2O3/c1-3-16-10-4-7-8(5-9(10)15-2)12-6-13-11(7)14/h4-6H,3H2,1-2H3,(H,12,13,14)
(5)Std. InChIKey: LWYYBCHNCHYKFF-UHFFFAOYSA-N