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4- (2-Methoxyethoxy) benzaldehyde

CAT: 0127-OR946440-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
36824-00-7
MDL Number
MFCD08144121
Purity
98%
Smiles
COCCOc1ccc(C=O)cc1

Chemical Information

4-(2-Methoxyethoxy)benzaldehyde
CAS Number36824-00-7
PubChem CID6485560
IUPAC Name4-(2-methoxyethoxy)benzaldehyde
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity139
SMILES
COCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H12O3/c1-12-6-7-13-10-4-2-9(8-11)3-5-10/h2-5,8H,6-7H2,1H3
InChIKey
IQCSLVHAFGNDGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Methoxyethoxy)benzaldehyde
CAS: 36824-00-7
CID: 6485560
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity139
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
SDA63796-012- (2-Methoxyethoxy) benzaldehyde
sc-3441863- (2-methoxyethoxy) benzaldehyde
sc-3918523-[ (2-Methoxyethoxy) methoxy]benzaldehyde
M2624953-[(2-Methoxyethoxy)methoxy]benzaldehyde
PCA99451-014-[2- (2-Methoxyethoxy) ethoxy]benzaldehyde
M2694003-Methoxy-4-[(2-methoxyethoxy)methoxy]benzaldehyde
426245-013-Methoxy-4-[ (2-methoxyethoxy) methoxy]benzaldehyde
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