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2-Cyclohexylbenzaldehyde

CAT: 0024-sc-265659Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-265659Size:10 mg
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CAS Number
128323-04-6

Chemical Information

2-Cyclohexylbenzaldehyde
CAS Number128323-04-6
PubChem CID14552110
IUPAC Name2-cyclohexylbenzaldehyde
Molecular FormulaC13H16O
Molecular Weight188.26
XLogP3.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity182
SMILES
C1CCC(CC1)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKey
SFNWXOPQLKYXHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexylbenzaldehyde
CAS: 128323-04-6
CID: 14552110
Formula: C13H16O
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass188.120115130
Monoisotopic Mass188.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity182
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