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2-ethoxy-5-methylnicotinaldehyde

CAT: 0127-OR1081715Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1256818-49-1
MDL Number
MFCD18254327
Smiles
C1 (cnc (c (c1) C=O) OCC) C

Chemical Information

2-Ethoxy-5-methylnicotinaldehyde
CAS Number1256818-49-1
PubChem CID119001715
IUPAC Name2-ethoxy-5-methylpyridine-3-carbaldehyde
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.4
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
CCOC1=C(C=C(C=N1)C)C=O
InChI
InChI=1S/C9H11NO2/c1-3-12-9-8(6-11)4-7(2)5-10-9/h4-6H,3H2,1-2H3
InChIKey
QOGWBACSYKMYGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-5-methylnicotinaldehyde
CAS: 1256818-49-1
CID: 119001715
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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

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418593-012-Methoxy-5-methylnicotinaldehyde
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