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(2E)-3-(3,4-dimethoxyphenyl)-1-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]cyclohexyl}prop-2-en-1-one

(2E)-3-(3,4-dimethoxyphenyl)-1-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]cyclohexyl}prop-2-en-1-one

CAS: 1226895-15-3

Formula: C28H32O6

SMILES: COC1=CC=C(C=CC(=O)C2(CCCCC2)C(=O)C=CC2=CC=C(OC)C(OC)=C2)C=C1OC

IUPAC: (2E)-3-(3,4-dimethoxyphenyl)-1-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]cyclohexyl}prop-2-en-1-one

InChI: InChI=1S/C28H32O6/c1-31-22-12-8-20(18-24(22)33-3)10-14-26(29)28(16-6-5-7-17-28)27(30)15-11-21-9-13-23(32-2)25(19-21)34-4/h8-15,18-19H,5-7,16-17H2,1-4H3/b14-10+,15-11+

Composition: C (72.39%), H (6.94%), O (20.66%)

Molar Mass: 464.558

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 464.21988875
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey NQDROBVIYYEMDQ-WFYKWJGLSA-N
Lipinski's Rule of Five
Molar Refractivity 133.85
Topological Polar Surface Area 71.06
Polarizability 51.02
Ring Count 3
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1226895-15-3 $36.69-$282.06$36.69$46.63$64.97$96.31$158.23$282.06
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