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190064-28-9

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Basic Information
CAS No.: 190064-28-9
Name: 5-(3 4-(DIMETHOXY)PHENYL)-1 3-
Article Data: 1
Molecular Structure:
Molecular Structure of 190064-28-9 (5-(3 4-(DIMETHOXY)PHENYL)-1 3-)
Formula: C14H16O4
Molecular Weight: 248.279
Synonyms: 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione;
EINECS: 604-604-1
Density: 1.173 g/cm3
Melting Point: 166-170 °C
Boiling Point: 411.6 °C at 760 mmHg
Flash Point: 184.1 °C
PSA: 52.60000
LogP: 2.10950
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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