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| CAS No.: | 75844-41-6 |
|---|---|
| Name: | 5-METHYL-4-QUINAZOLONE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.175 |
| Synonyms: | 4-Hydroxy-5-methylquinazoline;5-Methylquinazolin-4-ol; |
| Density: | 1.27 g/cm3 |
| Melting Point: | 224℃ |
| Boiling Point: | 330.027 °C at 760 mmHg |
| Flash Point: | 153.395 °C |
| PSA: | 45.75000 |
| LogP: | 1.23150 |
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- Total:18 Page 1 of 1 1
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Specification
The 4(3H)-Quinazolinone, 5-methyl-, with the CAS registry number 75844-41-6, is also known as 5-Methylquinazolin-4-ol. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its systematic name is 5-Methylquinazolin-4(1H)-one.
Physical properties about 4(3H)-Quinazolinone, 5-methyl- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 45.696 cm3; (15)Molar Volume: 126.167 cm3; (16)Polarizability: 18.115×10-24 cm3; (17)Surface Tension: 46.753 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 153.395 °C; (20)Enthalpy of Vaporization: 57.257 kJ/mol; (21)Boiling Point: 330.027 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1cccc(c12)C
(2) InChI: InChI=1/C9H8N2O/c1-6-3-2-4-7-8(6)9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12)
(3) InChIKey: PXDDCBOOHGDLBL-UHFFFAOYAB