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semilicoisoflavone B

semilicoisoflavone B

CAS: 129280-33-7

Formula: C20H16O6

SMILES: CC1(C)OC2=C(O)C=C(C=C2C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

IUPAC: 5,7,8'-trihydroxy-2',2'-dimethyl-2'H,4H-[3,6'-bichromen]-4-one

InChI: InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3

Composition: C (68.18%), H (4.58%), O (27.24%)

Molar Mass: 352.342

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names semilicoisoflavone B; semilicoisoflavone b
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 352.094688235
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey LWZACZCRAUQSLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.08
Topological Polar Surface Area 96.22
Polarizability 35.94
Ring Count 4
Rotatable Bond Count 1

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