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2-Benzyloxybenzaldehyde

CAT: 0926-FB29111-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FB29111-01Size:0.5 Kg
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CAS Number
5896-17-3
MDL Number
MFCD00016583
Smiles
C1=CC=C (C=C1) COC2=CC=CC=C2C=O
Molecular Formula
C14H12O2
Molecular Weight
212.24 g/mol
Controlled
No

Chemical Information

2-(Benzyloxy)benzaldehyde
CAS Number5896-17-3
PubChem CID344784
IUPAC Name2-phenylmethoxybenzaldehyde
Molecular FormulaC14H12O2
Molecular Weight212.24
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2C=O
InChI
InChI=1S/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey
PBEJTRAJWCNHRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy)benzaldehyde
CAS: 5896-17-3
CID: 344784
Formula: C14H12O2
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass212.083729621
Monoisotopic Mass212.083729621
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

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