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56701-24-7

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Basic Information
CAS No.: 56701-24-7
Name: 2',7-DIHYDROXY-4'-METHOXYISOFLAVAN
Article Data: 2
Molecular Structure:
Molecular Structure of 56701-24-7 (2',7-DIHYDROXY-4'-METHOXYISOFLAVAN)
Formula: C16H16O4
Molecular Weight: 272.301
Synonyms: 3-(2-Hydroxy-4-methoxyphenyl)-7-chromanol;3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;
Density: 1.282 g/cm3
Melting Point: 172-179℃
Boiling Point: 418.5 °C at 760 mmHg
Flash Point: 206.9 °C
PSA: 58.92000
LogP: 2.82510
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Specification

The CAS register number of 3-(2-Hydroxy-4-methoxyphenyl)-7-chromanol is 56701-24-7. It also can be called as 2H-1-Benzopyran-7-ol,3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)- and the systematic name about this chemical is 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol. The molecular formula about this chemical is C16H16O4 and the molecular weight is 272.3. It belongs to the Iso-Flavones.

Physical properties about 3-(2-Hydroxy-4-methoxyphenyl)-7-chromanol are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.01; (4)ACD/BCF (pH 5.5): 115.53; (5)ACD/BCF (pH 7.4): 114.35; (6)ACD/KOC (pH 5.5): 1042.49; (7)ACD/KOC (pH 7.4): 1031.85; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.92Å2; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 74.91 cm3; (14)Molar Volume: 212.3 cm3; (15)Polarizability: 29.69x10-24cm3; (16)Surface Tension: 54.9 dyne/cm; (17)Flash Point: 206.9 °C; (18)Enthalpy of Vaporization: 69.82 kJ/mol; (19)Boiling Point: 418.5 °C at 760 mmHg; (20)Vapour Pressure: 1.34E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(c(O)c1)C2Cc3c(OC2)cc(O)cc3)C
(2)InChI: InChI=1/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
(3)InChIKey: XRVFNNUXNVWYTI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
(5)Std. InChIKey: XRVFNNUXNVWYTI-UHFFFAOYSA-N