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4-(2-{4-[2-(4-formylphenyl)ethynyl]-2,5-dimethoxyphenyl}ethynyl)benzaldehyde

4-(2-{4-[2-(4-formylphenyl)ethynyl]-2,5-dimethoxyphenyl}ethynyl)benzaldehyde

CAS: 1190963-83-7

Formula: C26H18O4

SMILES: COC1=CC(C#CC2=CC=C(C=O)C=C2)=C(OC)C=C1C#CC1=CC=C(C=O)C=C1

IUPAC: 4-(2-{4-[2-(4-formylphenyl)ethynyl]-2,5-dimethoxyphenyl}ethynyl)benzaldehyde

InChI: InChI=1S/C26H18O4/c1-29-25-15-24(14-12-20-5-9-22(18-28)10-6-20)26(30-2)16-23(25)13-11-19-3-7-21(17-27)8-4-19/h3-10,15-18H,1-2H3

Composition: C (79.17%), H (4.60%), O (16.23%)

Molar Mass: 394.426

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 394.12050906
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YMJXJLJMESXVTN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 107.83
Topological Polar Surface Area 52.6
Polarizability 43.47
Ring Count 3
Rotatable Bond Count 8

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