Specification: |
This chemical is called 1-Methyl-2-quinolinone, and it can also be named as 2(1H)-quinolinone, 1-methyl-. With the molecular formula of C10H9NO, its molecular weight is 159.18. The CAS registry number of this chemical is 606-43-9.
Other characteristics of the 1-Methyl-2-quinolinone can be summarised as followings: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.55; (4)ACD/BCF (pH 5.5): 8.84; (5)ACD/BCF (pH 7.4): 8.84; (6)ACD/KOC (pH 5.5): 165.65; (7)ACD/KOC (pH 7.4): 165.65; (8)#H bond acceptors: 2 #H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 46.43 cm3; (13)Molar Volume: 137.1 cm3; (14)Polarizability: 18.4×10-24cm3; (15)Surface Tension: 43.2 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 106.8 °C; (18)Enthalpy of Vaporization: 48.47 kJ/mol; (19)Boiling Point: 247.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0255 mmHg at 25°C; (21)# of Rule of 5 Violations: 0.
When you are using this chemical, you should be cautious about it as following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C\c1c(cccc1)N2C
(2)InChI: InChI=1/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
(3)InChIKey: QYEMNJMSULGQRD-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
(5)Std. InChIKey: QYEMNJMSULGQRD-UHFFFAOYSA-N
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