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3-ethoxy-4-propoxybenzaldehyde

CAT: 0024-sc-283751Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-283751Size:100 mg
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CAS Number
350988-41-9

Chemical Information

3-Ethoxy-4-propoxybenzaldehyde
CAS Number350988-41-9
PubChem CID586734
IUPAC Name3-ethoxy-4-propoxybenzaldehyde
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP2.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity182
SMILES
CCCOC1=C(C=C(C=C1)C=O)OCC
InChI
InChI=1S/C12H16O3/c1-3-7-15-11-6-5-10(9-13)8-12(11)14-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
ZOHLMEIZTKTCMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-4-propoxybenzaldehyde
CAS: 350988-41-9
CID: 586734
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
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

Related Products

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Alternative Products

CatalogName
JIB90789-013-Ethoxy-5-iodo-4-propoxybenzaldehyde
PC1018804-012-Ethoxy-3-fluoro-4-propoxybenzaldehyde
TEB45682-013-Chloro-5-ethoxy-4-propoxybenzaldehyde
AEA25689-013-Ethoxy-2-propoxybenzaldehyde
SCB26632-012-Bromo-5-ethoxy-4-propoxybenzaldehyde
SCB275232-Chloro-5-ethoxy-4-propoxybenzaldehyde
280082-013- (Hydroxymethyl) -4-propoxybenzaldehyde
OR10940343-Methyl-4-propoxybenzaldehyde
270202-013-Chloro-4-propoxybenzaldehyde
PC10108764-fluoro-3-propoxybenzaldehyde

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