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3,4-Dimethoxy-2- (methoxymethoxy) benzaldehyde

CAT: 0127-OR1082187-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082187-01Size:500 mg
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CAS Number
130099-01-3
MDL Number
MFCD34759594
Purity
97%
Smiles
C1 (c (ccc (c1OCOC) C=O) OC) OC

Chemical Information

3,4-Dimethoxy-2-(methoxymethoxy)benzaldehyde
CAS Number130099-01-3
PubChem CID9991264
IUPAC Name3,4-dimethoxy-2-(methoxymethoxy)benzaldehyde
Molecular FormulaC11H14O5
Molecular Weight226.23
XLogP1.2
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
COCOC1=C(C=CC(=C1OC)OC)C=O
InChI
InChI=1S/C11H14O5/c1-13-7-16-10-8(6-12)4-5-9(14-2)11(10)15-3/h4-6H,7H2,1-3H3
InChIKey
PZWSGLNXEQOPCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxy-2-(methoxymethoxy)benzaldehyde
CAS: 130099-01-3
CID: 9991264
Formula: C11H14O5
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.08412354
Monoisotopic Mass226.08412354
Topological Polar Surface Area54 Ų
Heavy Atom Count16
Formal Charge0
Complexity209
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