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2- (cyclobutylmethoxy) benzaldehyde

CAT: 0127-OR1083951-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1083951-01Size:250 mg
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CAS Number
1490165-78-0
MDL Number
MFCD21240078
Purity
95%
Smiles
C1 (c (cccc1) OCC1CCC1) C=O

Chemical Information

2-(Cyclobutylmethoxy)benzaldehyde
CAS Number1490165-78-0
PubChem CID65458745
IUPAC Name2-(cyclobutylmethoxy)benzaldehyde
Molecular FormulaC12H14O2
Molecular Weight190.24
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
C1CC(C1)COC2=CC=CC=C2C=O
InChI
InChI=1S/C12H14O2/c13-8-11-6-1-2-7-12(11)14-9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2
InChIKey
BAACCPYESAOJIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclobutylmethoxy)benzaldehyde
CAS: 1490165-78-0
CID: 65458745
Formula: C12H14O2
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
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

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