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2,5-dibutoxybenzene-1,4-dicarbaldehyde

2,5-dibutoxybenzene-1,4-dicarbaldehyde

CAS: 564456-59-3

Formula: C16H22O4

SMILES: CCCCOC1=CC(C=O)=C(OCCCC)C=C1C=O

IUPAC: 2,5-dibutoxybenzene-1,4-dicarbaldehyde

InChI: InChI=1S/C16H22O4/c1-3-5-7-19-15-9-14(12-18)16(10-13(15)11-17)20-8-6-4-2/h9-12H,3-8H2,1-2H3

Composition: C (69.04%), H (7.97%), O (22.99%)

Molar Mass: 278.348

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 278.151809188
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YVTRGUBFSLFACU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.9
Topological Polar Surface Area 52.6
Polarizability 30.21
Ring Count 1
Rotatable Bond Count 10

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