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2-[ (Cyclohexyloxy) methyl]benzaldehyde

CAT: 0926-THC30516-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-THC30516-01Size:50 mg
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CAS Number
1443305-16-5
MDL Number
MFCD19442880
Smiles
C1CCC (CC1) OCC2=CC=CC=C2C=O
Molecular Formula
C14H18O2
Molecular Weight
218.29 g/mol
Controlled
No

Chemical Information

2-((Cyclohexyloxy)methyl)benzaldehyde
CAS Number1443305-16-5
PubChem CID91658149
IUPAC Name2-(cyclohexyloxymethyl)benzaldehyde
Molecular FormulaC14H18O2
Molecular Weight218.29
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
C1CCC(CC1)OCC2=CC=CC=C2C=O
InChI
InChI=1S/C14H18O2/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h4-7,10,14H,1-3,8-9,11H2
InChIKey
AQDXTRTUHHYERZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Cyclohexyloxy)methyl)benzaldehyde
CAS: 1443305-16-5
CID: 91658149
Formula: C14H18O2
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass218.130679813
Monoisotopic Mass218.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity209
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