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8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

CAS: 22136-74-9

Formula: C31H20O10

SMILES: COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C(=C2O1)C1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

IUPAC: 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

InChI: InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3

Composition: C (67.39%), H (3.65%), O (28.96%)

Molar Mass: 552.491

Atom Count: 61

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 552.105646844
Formal Charge 0
FSP3 0.03
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 5
InChIKey RBTRUVNXLDXHBJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 149.39
Topological Polar Surface Area 162.98
Polarizability 56.57
Ring Count 6
Rotatable Bond Count 3

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