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6-Ethynylpyridine-2-carbaldehyde

CAT: 0926-IHA43897-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IHA43897-01Size:50 mg
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CAS Number
183438-97-3
MDL Number
MFCD11111247
Smiles
C#CC1=CC=CC (=N1) C=O
Molecular Formula
C8H5NO
Molecular Weight
131.13 g/mol
Controlled
No

Chemical Information

6-Ethynylpyridine-2-carbaldehyde
CAS Number183438-97-3
PubChem CID45079154
IUPAC Name6-ethynylpyridine-2-carbaldehyde
Molecular FormulaC8H5NO
Molecular Weight131.13
XLogP0.9
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity167
SMILES
C#CC1=CC=CC(=N1)C=O
InChI
InChI=1S/C8H5NO/c1-2-7-4-3-5-8(6-10)9-7/h1,3-6H
InChIKey
PQTBOUTVACLTJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Ethynylpyridine-2-carbaldehyde
CAS: 183438-97-3
CID: 45079154
Formula: C8H5NO
MW: 131.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.13
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass131.037113783
Monoisotopic Mass131.037113783
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity167
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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