5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

Formula: C18H13IO6

SMILES: COC1=CC(C=C2C(=O)OC(OC2=O)C2=CC=CC=C2)=CC(I)=C1O

IUPAC: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

InChI: InChI=1S/C18H13IO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-

Composition: C (47.81%), H (2.90%), I (28.06%), O (21.23%)

Molar Mass: 452.2

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	451.97568
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZURBOUZTAZWOLJ-GHXNOFRVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.86
Topological Polar Surface Area	82.06
Polarizability	38.06
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H13IO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00