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4-butoxy-3-methoxybenzaldehyde

4-butoxy-3-methoxybenzaldehyde

CAS: 51301-87-2

Formula: C12H16O3

SMILES: CCCCOC1=C(OC)C=C(C=O)C=C1

IUPAC: 4-butoxy-3-methoxybenzaldehyde

InChI: InChI=1S/C12H16O3/c1-3-4-7-15-11-6-5-10(9-13)8-12(11)14-2/h5-6,8-9H,3-4,7H2,1-2H3

Composition: C (69.21%), H (7.74%), O (23.05%)

Molar Mass: 208.257

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.109944375
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VDQRSBASPLRAOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.44
Topological Polar Surface Area 35.53
Polarizability 22.78
Ring Count 1
Rotatable Bond Count 6

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