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4- (Dimethoxymethyl) nicotinaldehyde

CAT: 0127-OR1031247-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1031247-01Size:100 mg
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CAS Number
1300034-66-5
Purity
97%
Smiles
O=CC1=C(C(OC)OC)C=CN=C1

Chemical Information

4-(Dimethoxymethyl)pyridine-3-carbaldehyde
CAS Number1300034-66-5
PubChem CID86673065
IUPAC Name4-(dimethoxymethyl)pyridine-3-carbaldehyde
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP-0.1
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
COC(C1=C(C=NC=C1)C=O)OC
InChI
InChI=1S/C9H11NO3/c1-12-9(13-2)8-3-4-10-5-7(8)6-11/h3-6,9H,1-2H3
InChIKey
UXRLLXIRZINAGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Dimethoxymethyl)pyridine-3-carbaldehyde
CAS: 1300034-66-5
CID: 86673065
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area48.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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
GTR19255214-01Nicotinaldehyde
EAA63724-01(Dimethoxymethyl) dimethylamine
sc-334890A2- (Phenylsulfanyl) nicotinaldehyde
sc-506726Nicotinaldehyde N-oxide
sc-3257026- (Methylamino) nicotinaldehyde
sc-3210612- (Dimethylamino) nicotinaldehyde
sc-262744A6- (Dimethylamino) nicotinaldehyde
sc-2615144- (Tributylstannyl) nicotinaldehyde
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