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2-ethoxy-4- (methoxymethoxy) benzaldehyde

CAT: 0127-OR1099505Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1099505Size:1 g
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CAS Number
2586126-03-4
MDL Number
MFCD32902762
Purity
97%
Smiles
C1c (cc (c (c1) C=O) OCC) OCOC

Chemical Information

2-Ethoxy-4-(methoxymethoxy)benzaldehyde
CAS Number2586126-03-4
PubChem CID162421196
IUPAC Name2-ethoxy-4-(methoxymethoxy)benzaldehyde
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity183
SMILES
CCOC1=C(C=CC(=C1)OCOC)C=O
InChI
InChI=1S/C11H14O4/c1-3-14-11-6-10(15-8-13-2)5-4-9(11)7-12/h4-7H,3,8H2,1-2H3
InChIKey
BXLRDBNTQSYHAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-4-(methoxymethoxy)benzaldehyde
CAS: 2586126-03-4
CID: 162421196
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity183
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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