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5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0?,¹¹]hexadeca-4,7(11),9-trien-15-one

5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0?,¹¹]hexadeca-4,7(11),9-trien-15-one

CAS: 13476-25-0

Formula: C15H16O4

SMILES: CC1=COC2=C1C1OC(=O)C3(CCC=C(C)C2)OC13

IUPAC: 5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0?,¹¹]hexadeca-4,7(11),9-trien-15-one

InChI: InChI=1/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3

Composition: C (69.22%), H (6.20%), O (24.59%)

Molar Mass: 260.289

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 260.104858995
Formal Charge 0
FSP3 0.53
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KBMSVODXFLAQNJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.29
Topological Polar Surface Area 51.97
Polarizability 26.43
Ring Count 4
Rotatable Bond Count 0

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 13476-25-0 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 13476-25-0 $51.21-$175.81$51.21$89.43$175.81
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