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4-Hydroxy-5-methoxy-2-pyridinecarbaldehyde

CAT: 0926-EIA84772-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-EIA84772-01Size:100 mg
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CAS Number
204847-72-3
MDL Number
MFCD12922688
Smiles
COC1=CNC (=CC1=O) C=O
Molecular Formula
C7H7NO3
Molecular Weight
153.14 g/mol
Controlled
No

Chemical Information

4-Hydroxy-5-methoxypyridine-2-carbaldehyde
CAS Number204847-72-3
PubChem CID15785598
IUPAC Name5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
Molecular FormulaC7H7NO3
Molecular Weight153.14
XLogP0
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity252
SMILES
COC1=CNC(=CC1=O)C=O
InChI
InChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10)
InChIKey
UVMABDMIQMSWRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-5-methoxypyridine-2-carbaldehyde
CAS: 204847-72-3
CID: 15785598
Formula: C7H7NO3
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass153.042593085
Monoisotopic Mass153.042593085
Topological Polar Surface Area55.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity252
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