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4-[2- (2-Methoxyethoxy) ethoxy]benzaldehyde

CAT: 0926-PCA99451-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PCA99451-01Size:50 mg
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CAS Number
64994-51-0
MDL Number
MFCD19672512
Smiles
COCCOCCOC1=CC=C (C=C1) C=O
Molecular Formula
C12H16O4
Molecular Weight
224.25 g/mol
Controlled
No

Chemical Information

4-(2-(2-Methoxyethoxy)ethoxy)benzaldehyde

structure in first source

CAS Number64994-51-0
PubChem CID10889545
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]benzaldehyde
Molecular FormulaC12H16O4
Molecular Weight224.25
XLogP0.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity176
SMILES
COCCOCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C12H16O4/c1-14-6-7-15-8-9-16-12-4-2-11(10-13)3-5-12/h2-5,10H,6-9H2,1H3
InChIKey
QBLWGIVLCXPANU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(2-Methoxyethoxy)ethoxy)benzaldehyde
CAS: 64994-51-0
CID: 10889545
Formula: C12H16O4
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass224.10485899
Monoisotopic Mass224.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity176
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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Alternative Products

CatalogName
OR1058989-012-Hydroxy-4- (2- (2-methoxyethoxy) ethoxy) benzaldehyde
OR946440-014- (2-Methoxyethoxy) benzaldehyde
OR10580454- ((2-Methoxyethoxy) methoxy) benzaldehyde
413215-012- (2-Methoxyethoxy) benzaldehyde
OR1085317-012-chloro-4- (2-methoxyethoxy) benzaldehyde
sc-3153604-[2- (2-Methoxyethoxy) ethoxy]phenylamine
OR1048132-014- (2- (2- (2-Methoxyethoxy) ethoxy) ethoxy) benzoic acid
sc-3153574-[2- (2-Methoxyethoxy) ethoxy]-2-methylphenylamine
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