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Molecular Structure of 6-(10-Hydroxydecanoyl)-2,3-dimethoxy-5-methylphenol (CAS NO.104966-97-4):
Systematic Name: 10-Hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methyl-phenyl)decan-1-one
SMILES: Cc1cc(c(c(c1C(=O)CCCCCCCCCO)O)OC)OC
InChI: InChI=1/C19H30O5/c1-14-13-16(23-2)19(24-3)18(22)17(14)15(21)11-9-7-5-4-6-8-10-12-20/h13,20,22H,4-12H2,1-3H3
InChIKey: WBYOLDFLFONXGS-UHFFFAOYAZ
Empirical Formula: C19H30O5
Molecular Weight: 338.4385
Nominal Mass: 338 Da
Average Mass: 338.439 Da
Monoisotopic Mass: 338.209 Da
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 14
Index of Refraction: 1.518
Molar Refractivity: 94.942 cm3
Molar Volume: 313.233 cm3
Surface Tension: 41.174 dyne/cm
Density: 1.08 g/cm3
Flash Point: 164.115 °C
Enthalpy of Vaporization: 78.787 kJ/mol
Boiling Point: 482.974 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
6-(10-Hydroxydecanoyl)-2,3-dimethoxy-5-methylphenol (CAS NO.104966-97-4), its Synonym is 1-Decanone,10-hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)- .