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4-n-Octyloxybenzaldehyde

CAT: 0024-sc-267688Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-267688Size:5 g
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CAS Number
24083-13-4

Chemical Information

p-(Octyloxy)benzaldehyde
CAS Number24083-13-4
PubChem CID90358
IUPAC Name4-octoxybenzaldehyde
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP4.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity183
SMILES
CCCCCCCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3
InChIKey
KVOWZHASDIKNFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-(Octyloxy)benzaldehyde
CAS: 24083-13-4
CID: 90358
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes