3',4'-Dihydroxy-2'-nitroso-2-(methylamino)acetophenone

HCID 47682

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Basic information

CAS: 65561-71-9
Standard SMILES: CNCC(=O)c1ccc(O)c(O)c1N=O
InChIKey: QAAUWVKIJNJMRO-UHFFFAOYSA-N
Molecular formula: C9H10N2O4
Average molar mass: 210.19 g/mol
Monoisotopic mass: 210.0640568

Names & identifiers

Preferred name: 3',4'-Dihydroxy-2'-nitroso-2-(methylamino)acetophenone
IUPAC: 1-(3,4-dihydroxy-2-nitrosophenyl)-2-(methylamino)ethanone
English name: AONO-1
Molecular formula: C9H10N2O4
Molecular weight: 210.1867

Names & synonyms

65561-71-93',4'-Dihydroxy-2'-nitroso-2-(methylamino)acetophenoneNSC270519ACETOPHENONE, 3',4'-DIHYDROXY-2-(METHYLAMINO)-2'-NITROSO-DTXSID909841481-(3,4-Dihydroxy-2-nitrosophenyl)-2-(methylamino)ethan-1-oneNSC 270519NSC-270519Ethanone,4-dihydroxy-2-nitrosophenyl)-2-(methylamino)-AONO-1

Database identifiers

CAS: 65561-71-9
PubChem CID: 47682
DTXSID: DTXSID90984148
Nikkaji: J90.735I

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 99 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 246

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