Isomagnolone

Catalog Number	ACM155709414-1
CAS Number	155709-41-4
Molecular Weight	282.33
Molecular Formula	C18H18O3
Canonical SMILES	C=CCC1=CC=C(O)C(OC2=CC=C(C(CC)=O)C=C2)=C1
InChI	InChI=1S/C18H18O3/c1-3-5-13-6-11-17(20)18(12-13)21-15-9-7-14(8-10-15)16(19)4-2/h3,6-12,20H,1,4-5H2,2H3
InChI Key	LVHHYWFCRQIOJG-UHFFFAOYSA-N
Purity	95%+
Complexity	344
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	282.125594432
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	282.125594432
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	46.5 Ų

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