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33900-74-2

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Basic Information
CAS No.: 33900-74-2
Name: 2,3,4'-Trihydroxy-3',5'-dimethoxypropiophene
Molecular Structure:
Molecular Structure of 33900-74-2 (2,3,4'-Trihydroxy-3',5'-dimethoxypropiophene)
Formula: C11H14O6
Molecular Weight: 242.2
Synonyms: 2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone;
Density: 1.351 g/cm3
Boiling Point: 490.827 °C at 760 mmHg
Flash Point: 193.605 °C
PSA: 96.22000
LogP: -0.05470
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Specification

The CAS registry number of 2,3,4'-Trihydroxy-3',5'-dimethoxypropiophenone is 33900-74-2. This chemical is also known as 2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone. Its molecular formula is C11H14O6 and molecular weight is 242.2253. Its systematic name and is called 2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 59.181 cm3; (14)Molar Volume: 179.293 cm3; (15)Surface Tension: 56.443 dyne/cm; (16)Density: 1.351 g/cm3; (17)Enthalpy of Vaporization: 79.773 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Boiling Point: 490.827 °C at 760 mmHg; (20)Flash Point: 193.605 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OC)c(O)c(OC)c1)C(O)CO
(2)InChI: InChI=1/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,12-13,15H,5H2,1-2H3
(3)InChIKey: QJWLBLCJYZLCLM-UHFFFAOYAR