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4-[3-(4-formylphenoxy)-2,2-bis(4-formylphenoxymethyl)propoxy]benzaldehyde

4-[3-(4-formylphenoxy)-2,2-bis(4-formylphenoxymethyl)propoxy]benzaldehyde

CAS: 381670-43-5

Formula: C33H28O8

SMILES: O=CC1=CC=C(OCC(COC2=CC=C(C=O)C=C2)(COC2=CC=C(C=O)C=C2)COC2=CC=C(C=O)C=C2)C=C1

IUPAC: 4-[3-(4-formylphenoxy)-2,2-bis[(4-formylphenoxy)methyl]propoxy]benzaldehyde

InChI: InChI=1S/C33H28O8/c34-17-25-1-9-29(10-2-25)38-21-33(22-39-30-11-3-26(18-35)4-12-30,23-40-31-13-5-27(19-36)6-14-31)24-41-32-15-7-28(20-37)8-16-32/h1-20H,21-24H2

Composition: C (71.73%), H (5.11%), O (23.16%)

Molar Mass: 552.579

Atom Count: 69

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 552.178417862
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey CHMQOOPBNYVGLE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 155.1
Topological Polar Surface Area 105.2
Polarizability 58.61
Ring Count 4
Rotatable Bond Count 16

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