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63215-31-6

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Basic Information
CAS No.: 63215-31-6
Name: 6-Isopropoxy-3,4-dihydro-2h-naphthalen-1-one
Article Data: 4
Molecular Structure:
Molecular Structure of 63215-31-6 (6-Isopropoxy-3,4-dihydro-2h-naphthalen-1-one)
Formula: C13H16O2
Molecular Weight: 204.269
Synonyms: 1(2H)-Naphthalenone, 3,4-dihydro-6-(1-methylethoxy)-;6-(1-Methylethoxy)-3,4-dihydronaphthalen-1(2H)-one;
Density: 1.074 g/cm3
Boiling Point: 341.8 °C at 760 mmHg
Flash Point: 154.1 °C
PSA: 26.30000
LogP: 2.99280
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Specification

The 6-Isopropoxy-3,4-dihydro-2h-naphthalen-1-one, with the CAS registry number 63215-31-6, is also known as 1(2H)-Naphthalenone, 3,4-dihydro-6-(1-methylethoxy)-. This chemical's molecular formula is C13H16O2 and molecular weight is 204.26. What's more, its systematic name is 6-(1-Methylethoxy)-3,4-dihydronaphthalen-1(2H)-one.

Physical properties of 6-Isopropoxy-3,4-dihydro-2h-naphthalen-1-one are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 302.25; (6)ACD/BCF (pH 7.4): 302.25; (7)ACD/KOC (pH 5.5): 2075.16; (8)ACD/KOC (pH 7.4): 2075.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 59.07 cm3; (15)Molar Volume: 190.1 cm3; (16)Polarizability: 23.41×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 58.54 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cc(OC(C)C)cc1)CCC2
(2)InChI: InChI=1S/C13H16O2/c1-9(2)15-11-6-7-12-10(8-11)4-3-5-13(12)14/h6-9H,3-5H2,1-2H3
(3)InChIKey: PKEDWOXXOSCINP-UHFFFAOYSA-N