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5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione

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Name

5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione

EINECS 604-604-1
CAS No. 190064-28-9 Density 1.173 g/cm3
PSA 52.60000 LogP 2.10950
Solubility N/A Melting Point 166-170 °C
Formula C14H16O4 Boiling Point 411.6 °C at 760 mmHg
Molecular Weight 248.279 Flash Point 184.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 190064-28-9 (5-(3 4-(DIMETHOXY)PHENYL)-1 3-) Hazard Symbols N/A
Synonyms

5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione;

Article Data 1

5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione Specification

The 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione, with the CAS registry number 190064-28-9, is also known as 1,3-Cyclohexanedione,5-(3,4-dimethoxyphenyl)- and 5-[3,4-(Dimethoxy)phenyl]-1,3-cyclohexanedione. It belongs to the product categories of Chiral Building Blocks; Ketones and Organic Building Blocks. This chemical's molecular formula is C14H16O4 and molecular weight is 248.27. What's more, both its IUPAC name and systematic name are the same which is called 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione.

Physical properties about 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione are: (1) ACD/LogP: 0.72; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 52.6 Å2; (7) Index of Refraction: 1.533; (8) Molar Refractivity: 65.73 cm3; (9) Molar Volume: 211.6 cm3; (10) Surface Tension: 42.4 dyne/cm; (11) Density: 1.173 g/cm3; (12) Flash Point: 184.1 °C; (13) Enthalpy of Vaporization: 66.41 kJ/mol; (14) Boiling Point: 411.6 °C at 760 mmHg; (15) Vapour Pressure: 5.52E-07 mmHg at 25 °C; (16) Melting Point: 166-170 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CC(c1cc(OC)c(OC)cc1)CC(=O)C2
(2) InChI: InChI=1/C14H16O4/c1-17-13-4-3-9(7-14(13)18-2)10-5-11(15)8-12(16)6-10/h3-4,7,10H,5-6,8H2,1-2H3
(3) InChIKey: IRKIDJHFWYGNFG-UHFFFAOYAG

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