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5-methyl-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

5-methyl-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

CAS: 23560-66-9

Formula: C15H12O2

SMILES: CC1=CC2=C(OCC3=C(C=CC=C3)C2=O)C=C1

IUPAC: 5-methyl-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

InChI: InChI=1S/C15H12O2/c1-10-6-7-14-13(8-10)15(16)12-5-3-2-4-11(12)9-17-14/h2-8H,9H2,1H3

Composition: C (80.34%), H (5.39%), O (14.27%)

Molar Mass: 224.259

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.083729626
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QKBZVICFFSSIDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.69
Topological Polar Surface Area 26.3
Polarizability 25.53
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 23560-66-9 $51.35-$86.31$51.35$63.37$86.31
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