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| CAS No.: | 16064-24-7 |
|---|---|
| Name: | 7-METHOXY-4(1H)-QUINAZOLINONE |
| Article Data: | 26 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.175 |
| Synonyms: | 4(1H)-Quinazolinone,7-methoxy- (9CI); |
| Density: | 1.32 g/cm3 |
| Melting Point: | 257-258℃ |
| Boiling Point: | 338.7 °C at 760 mmHg |
| Flash Point: | 158.7 °C |
| PSA: | 54.98000 |
| LogP: | 0.93170 |
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- Total:21 Page 1 of 1 1
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Specification
The 4(3H)-Quinazolinone,7-methoxy-, with the CAS registry number 16064-24-7, is also known as 7-Methoxyquinazolin-4(3H)-one. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17202. What's more, its systematic name is called 7-Methoxyquinazolin-4(1H)-one.
Physical properties about 4(3H)-Quinazolinone,7-methoxy- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.95; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 56.21; (8)ACD/KOC (pH 7.4): 56.2; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 47.08 cm3; (15)Molar Volume: 132.7 cm3; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 158.7 °C; (19)Enthalpy of Vaporization: 58.21 kJ/mol; (20)Boiling Point: 338.7 °C at 760 mmHg; (21)Vapour Pressure: 9.64E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1cc(OC)ccc12
(2) InChI: InChI=1/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
(3) InChIKey: PPGWFCHOWMFNRI-UHFFFAOYAA