Azet-2(1H)-one

HCID 18331069

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Basic information

CAS: 106104-47-6
Standard SMILES: O=C1C=CN1
InChIKey: FADJIMDKDQYNCG-UHFFFAOYSA-N
Molecular formula: C3H3NO
Average molar mass: 69.06 g/mol
Monoisotopic mass: 69.02146372

Names & identifiers

Preferred name: Azet-2(1H)-one
IUPAC: 1H-azet-2-one

Names & synonyms

Azet-2(1H)-one106104-47-6DTXSID50592869RefChem:320304DTXCID90543633SCHEMBL616019SCHEMBL5144431SCHEMBL7265338SCHEMBL7423030SCHEMBL17391058AKOS006358733

Database identifiers

CAS: 106104-47-6
PubChem CID: 18331069
DTXSID: DTXSID50592869
Nikkaji: J1.148.530H

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 84.9

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Compound notes

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