hydroxy nitroso carbonate

CHNO5 — CID 54562882

IUPAChydroxy nitroso carbonate
SMILESO=NOC(=O)OO
InChIInChI=1S/CHNO5/c3-1(7-5)6-2-4/h5H
InChIKeyZRTSWUOAMXZOSM-UHFFFAOYSA-N
MW107.02 g/mol
LogP0.29
Rot. Bonds1

About hydroxy nitroso carbonate

hydroxy nitroso carbonate (PubChem CID 54562882) has the molecular formula CHNO5 and a molecular weight of 107.02 g/mol. Its IUPAC name is hydroxy nitroso carbonate.

Molecular Properties

Compound Namehydroxy nitroso carbonate
PubChem CID54562882
Molecular FormulaCHNO5
Molecular Weight107.02 g/mol
Exact Mass106.99
IUPAC Namehydroxy nitroso carbonate
SMILESO=NOC(=O)OO
InChIInChI=1S/CHNO5/c3-1(7-5)6-2-4/h5H
InChIKeyZRTSWUOAMXZOSM-UHFFFAOYSA-N
XLogP0.29
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.02
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy nitroso carbonate?
The IUPAC name of hydroxy nitroso carbonate (CID 54562882) is hydroxy nitroso carbonate.
What is the SMILES notation for hydroxy nitroso carbonate?
The canonical SMILES for hydroxy nitroso carbonate is O=NOC(=O)OO.
What is the InChIKey of hydroxy nitroso carbonate?
The InChIKey is ZRTSWUOAMXZOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO5/c3-1(7-5)6-2-4/h5H.
What are the key properties of hydroxy nitroso carbonate?
hydroxy nitroso carbonate has a molecular weight of 107.02 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy nitroso carbonate is sourced from PubChem (CID 54562882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).