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62252-10-2

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Basic Information
CAS No.: 62252-10-2
Name: 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone
Molecular Structure:
Molecular Structure of 62252-10-2 (5,7-Dihydroxy-3',4',5'-trimethoxyflavanone)
Formula: C18H18O7
Molecular Weight: 346.337
Synonyms: 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-chromanone;
Density: 1.348 g/cm3
Melting Point: 227-230°C
Boiling Point: 562.6 °C at 760 mmHg
Flash Point: 205.3 °C
PSA: 94.45000
LogP: 2.83010
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Specification

The 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone, with the CAS registry number 62252-10-2, is also known as 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-chromanone. Its molecular formula is C18H18O7 and its IUPAC name is 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one. Additionally, its product category is Penta-substituted Flavones.

Other characteristics of the 5,7-Dihydroxy-3',4',5'-trimethoxyflavanone can be summarised as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 209.22; (6)ACD/BCF (pH 7.4): 80.35; (7)ACD/KOC (pH 5.5): 1585.86; (8)ACD/KOC (pH 7.4): 609.07; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 88.4 cm3; (15)Molar Volume: 256.8 cm3; (16)Polarizability: 35.04×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 205.3 °C; (20)Enthalpy of Vaporization: 87.73 kJ/mol; (21)Boiling Point: 562.6 °C at 760 mmHg; (22)Vapour Pressure: 2.9E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c3c(OC(c1cc(OC)c(OC)c(OC)c1)C2)cc(O)cc3O
2.InChI: InChI=1/C18H18O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-7,13,19-20H,8H2,1-3H3
3.InChIKey: CTALFFOVOLJORS-UHFFFAOYAT