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53863-68-6

Basic Information
CAS No.: 53863-68-6
Name: 5-methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one
Article Data: 9
Molecular Structure:
Molecular Structure of 53863-68-6 (5-methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one)
Formula: C12H14O2
Molecular Weight: 190.242
Synonyms: 5-Methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one;5-Methoxy-8-methyl-2,3,4-trihydronaphthalen-1-one;
Density: 1.099 g/cm3
Boiling Point: 343.5 °C at 760 mmHg
Flash Point: 161.3 °C
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    1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-8-methyl- cas 53863-68-6Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-8-methyl-, with the CAS registry number 53863-68-6, is also known as 5-Methoxy-8-methyl-2,3,4-trihydronaphthalen-1-one. This chemical's molecular formula is C12H14O2 and molecular weight is 190.24. What's more, its systematic name is 5-methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one. 

Physical properties of 1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-8-methyl- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 54.67 cm3; (9)Molar Volume: 173 cm3; (10)Polarizability: 21.67×10-24cm3; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.099 g/cm3; (13)Flash Point: 161.3 °C; (14)Enthalpy of Vaporization: 58.74 kJ/mol; (15)Boiling Point: 343.5 °C at 760 mmHg; (16)Vapour Pressure: 7.01E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(ccc(OC)c1CCC2)C
(2)InChI: InChI=1S/C12H14O2/c1-8-6-7-11(14-2)9-4-3-5-10(13)12(8)9/h6-7H,3-5H2,1-2H3
(3)InChIKey: HADPARVFTQANAI-UHFFFAOYSA-N