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304904-61-8

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Basic Information
CAS No.: 304904-61-8
Name: 6,7-DIMETHOXY-3H-QUINOLIN-4-ONE
Molecular Structure:
Molecular Structure of 304904-61-8 (6,7-DIMETHOXY-3H-QUINOLIN-4-ONE)
Formula: C11H11NO3
Molecular Weight: 205.2099
Synonyms: 6,7-Dimethoxy-3H-quinolin-4-one;
Density: 1.237 g/cm3
Boiling Point: 396.537 °C at 760 mmHg
Flash Point: 204.776 °C
PSA: 47.89000
LogP: 1.42810
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Specification

The 4(3H)-Quinolinone,6,7-dimethoxy-, with the CAS registry number 304904-61-8, is also known as 6,7-Dimethoxyquinolin-4(3H)-one. This chemical's molecular formula is C11H11NO3 and molecular weight is 205.2099. What's more, its IUPAC name is called 6,7-Dimethoxy-3H-quinolin-4-one.

Physical properties about 4(3H)-Quinolinone,6,7-dimethoxy- are: (1)ACD/LogP: 1.68; (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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 50; (8)ACD/KOC (pH 7.4): 50; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.89 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 54.453 cm3; (15)Molar Volume: 165.893 cm3; (16)Surface Tension: 40.382 dyne/cm; (17)Density: 1.237 g/cm3; (18)Flash Point: 204.776 °C; (19)Enthalpy of Vaporization: 64.685 kJ/mol; (20)Boiling Point: 396.537 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc2c(cc1OC)/N=C\CC2=O
(2) InChI: InChI=1/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h4-6H,3H2,1-2H3
(3) InChIKey: GOPZXZSDYBVSQO-UHFFFAOYAK