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2-Phenyl-3-pyridinecarboxaldehyde

CAT: 0127-OR1098517Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
74796-19-3
MDL Number
MFCD14702180
Smiles
C (=O) c1c (nccc1) c1ccccc1

Chemical Information

2-Phenylpyridine-3-carboxaldehyde
CAS Number74796-19-3
PubChem CID12581874
IUPAC Name2-phenylpyridine-3-carbaldehyde
Molecular FormulaC12H9NO
Molecular Weight183.21
XLogP2
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
C1=CC=C(C=C1)C2=C(C=CC=N2)C=O
InChI
InChI=1S/C12H9NO/c14-9-11-7-4-8-13-12(11)10-5-2-1-3-6-10/h1-9H
InChIKey
CCITWDQDNVHLSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylpyridine-3-carboxaldehyde
CAS: 74796-19-3
CID: 12581874
Formula: C12H9NO
MW: 183.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass183.068413911
Monoisotopic Mass183.068413911
Topological Polar Surface Area30 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
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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