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109140-20-7

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Basic Information
CAS No.: 109140-20-7
Name: 5-Methoxy-3-chromanone
Molecular Structure:
Molecular Structure of 109140-20-7 (5-Methoxy-3-chromanone)
Formula: C10H10O3
Molecular Weight: 178.1846
Synonyms: 5-Methoxy-2H-chromen-3(4H)-one;5-Methoxy-3-chromanone;
Density: 1.206 g/cm3
Boiling Point: 332.36 °C at 760 mmHg
Flash Point: 145.916 °C
PSA: 35.53000
LogP: 1.19920
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Specification

The cas register number of 5-Methoxy-3-chromanone is 109140-20-7. The Systematic name about this chemical is 5-Methoxy-2H-chromen-3(4H)-one. Physical properties about 5-Methoxy-3-chromanone are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.53Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 46.841 cm3; (9)Molar Volume: 147.806 cm3; (10)Surface Tension: 42.167 dyne/cm; (11)Density: 1.206 g/cm3; (12)Flash Point: 145.916 °C; (13)Enthalpy of Vaporization: 57.512 kJ/mol; (14)Boiling Point: 332.36 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C1Cc2c(OC1)cccc2OC
2.InChI: InChI=1/C10H10O3/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10/h2-4H,5-6H2,1H3 
3.InChIKey: LXLFVZLZBQOFAA-UHFFFAOYAN
4.Std. InChI: InChI=1S/C10H10O3/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10/h2-4H,5-6H2,1H3