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3,4-Dibenzyloxybenzaldehyde

CAT: 0572-TRC-D417980-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D417980-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5447-02-9
Hazard Statement
No Data Available
Smiles
O=Cc1ccc(OCc2ccccc2)c(OCc3ccccc3)c1
Molecular Formula
C21 H18 O3
Molecular Weight
318.37
InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
Additionnal Information
IUPAC name: 3,4-bis(phenylmethoxy)benzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,4-Bis(benzyloxy)benzaldehyde
CAS Number5447-02-9
PubChem CID79526
IUPAC Name3,4-bis(phenylmethoxy)benzaldehyde
Molecular FormulaC21H18O3
Molecular Weight318.4
XLogP4.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity358
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
XDDLXZHBWVFPRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Bis(benzyloxy)benzaldehyde
CAS: 5447-02-9
CID: 79526
Formula: C21H18O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass318.125594432
Monoisotopic Mass318.125594432
Topological Polar Surface Area35.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity358
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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FD21561-013,4-Dibenzyloxybenzaldehyde
sc-2262753,5-Dibenzyloxybenzaldehyde
HY-W009390S-01DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
sc-480128ADL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
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PAA047093,3,4,4-Tetrachloroazobenzene
RG-A262638-013,4,3',4'- Tetrabromobiphenyl
sc-3226513,3',4,4'-Tetrachlorobenzophenone
sc-2764393,3',4,4'-Tetramethylbiphenyl
FT180033-013,3',4,4'-Tetrachlorobiphenyl

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