nitroso acetate

C2H3NO3 — CID 12757149

IUPACnitroso acetate
SMILESCC(=O)ON=O
InChIInChI=1S/C2H3NO3/c1-2(4)6-3-5/h1H3
InChIKeyRHMRKSLUXZLPMB-UHFFFAOYSA-N
MW89.05 g/mol
LogP0.23
Rot. Bonds1

About nitroso acetate

nitroso acetate (PubChem CID 12757149) has the molecular formula C2H3NO3 and a molecular weight of 89.05 g/mol. Its IUPAC name is nitroso acetate.

Molecular Properties

Compound Namenitroso acetate
PubChem CID12757149
Molecular FormulaC2H3NO3
Molecular Weight89.05 g/mol
Exact Mass89.01
IUPAC Namenitroso acetate
SMILESCC(=O)ON=O
InChIInChI=1S/C2H3NO3/c1-2(4)6-3-5/h1H3
InChIKeyRHMRKSLUXZLPMB-UHFFFAOYSA-N
XLogP0.23
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitroso acetate?
The IUPAC name of nitroso acetate (CID 12757149) is nitroso acetate.
What is the SMILES notation for nitroso acetate?
The canonical SMILES for nitroso acetate is CC(=O)ON=O.
What is the InChIKey of nitroso acetate?
The InChIKey is RHMRKSLUXZLPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO3/c1-2(4)6-3-5/h1H3.
What are the key properties of nitroso acetate?
nitroso acetate has a molecular weight of 89.05 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso acetate is sourced from PubChem (CID 12757149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).