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3-methoxy-2-phenylmethoxybenzaldehyde

CAT: 1731-GT HW 3451-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-GT HW 3451-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2011-06-5
MDL Number
MFCD00202674
Purity
0.95
Smiles
COc1cccc (C=O) c1OCc1ccccc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

2-(Benzyloxy)-3-methoxybenzaldehyde
CAS Number2011-06-5
PubChem CID1268087
IUPAC Name3-methoxy-2-phenylmethoxybenzaldehyde
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP2.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity248
SMILES
COC1=CC=CC(=C1OCC2=CC=CC=C2)C=O
InChI
InChI=1S/C15H14O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKey
KXBGOVZWCRLLOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy)-3-methoxybenzaldehyde
CAS: 2011-06-5
CID: 1268087
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity248
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