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4-Pyridone

CAS: 108-96-3 | C5H5NO

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 108-96-3
Molecular Formula: C5H5NO
Molecular Weight: 95.10099999999998 g/mol

Names and Synonyms:

4-Pyridone Synonym
4(1H)-Pyridinone Synonym
4(1H)-Pyridone Synonym
γ-Pyridone Synonym
4-Oxopyridine Synonym
4-Pyridone Synonym
4-Pyridinone Synonym
NSC 146174 Synonym
NSC 26021 Synonym
1,4-Dihydropyridin-4-one Synonym
1H-Pyridin-4-one Synonym

Identifiers:

SMILES:
O=c1cc[nH]cc1
InChI:
InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 95.10 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/4-Pyridone None Legacy Database
cas-boiling-point 200 °C @ Press: 3 Torr None Legacy Database
cas-canonical-smile O=C1C=CNC=C1 None Legacy Database
cas-inchi InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) None Legacy Database
cas-inchi-key InChIKey=GCNTZFIIOFTKIY-UHFFFAOYSA-N None Legacy Database
cas-melting-point 65-66 °C None Legacy Database
cas-name 4(1H)-Pyridinone None Legacy Database
wikipedia-name 4-Pyridone None Legacy Database
LogP 0.37490000000000007 RDKit

Molecular

Property Value Source
Molecular Weight 95.10099999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 95.03711378 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 7 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 32.86 Ų RDKit

Molar

Property Value Source
Molar Refractivity 27.062699999999996 RDKit

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