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chrysosplenetin

chrysosplenetin

CAS: 603-56-5

Formula: C19H18O8

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

IUPAC: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one

InChI: InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3

Composition: C (60.96%), H (4.85%), O (34.19%)

Molar Mass: 374.345

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names chrysosplenetin; chrysosplenetin B
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 374.10016754
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey NBVTYGIYKCPHQN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.04
Topological Polar Surface Area 103.68
Polarizability 36.58
Ring Count 3
Rotatable Bond Count 5

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