aminooxy hydrogen carbonate

CH3NO4 — CID 141080921

IUPACaminooxy hydrogen carbonate
SMILESNOOC(=O)O
InChIInChI=1S/CH3NO4/c2-6-5-1(3)4/h2H2,(H,3,4)
InChIKeyPTRXNDWBGSLGEO-UHFFFAOYSA-N
MW93.04 g/mol
LogP-0.51
Rot. Bonds1

About aminooxy hydrogen carbonate

aminooxy hydrogen carbonate (PubChem CID 141080921) has the molecular formula CH3NO4 and a molecular weight of 93.04 g/mol. Its IUPAC name is aminooxy hydrogen carbonate.

Molecular Properties

Compound Nameaminooxy hydrogen carbonate
PubChem CID141080921
Molecular FormulaCH3NO4
Molecular Weight93.04 g/mol
Exact Mass93.01
IUPAC Nameaminooxy hydrogen carbonate
SMILESNOOC(=O)O
InChIInChI=1S/CH3NO4/c2-6-5-1(3)4/h2H2,(H,3,4)
InChIKeyPTRXNDWBGSLGEO-UHFFFAOYSA-N
XLogP-0.51
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.04
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carboxyoxy hydrogen carbonate;neodymium
CID 174688278
CID 87206652
CID 87206652
amino carbamoperoxoate
CID 154219003
dicalcium;carboxyoxy hydrogen carbonate;hydride
CID 173048149
carboxyperoxy hydrogen carbonate;uranium
CID 90091510
silyloxy hydrogen carbonate
CID 173188657
methoxy hydrogen carbonate
CID 19018247
amino prop-2-eneperoxoate
CID 54317531
carbonic acid;ruthenium
CID 87059075
2-O-amino 1-O-carboxy oxalate
CID 155682346
carboxyperoxy formate
CID 20570702
magnesium;amino carboxy carbonate;difluoride
CID 173150021

Frequently Asked Questions

What is the IUPAC name of aminooxy hydrogen carbonate?
The IUPAC name of aminooxy hydrogen carbonate (CID 141080921) is aminooxy hydrogen carbonate.
What is the SMILES notation for aminooxy hydrogen carbonate?
The canonical SMILES for aminooxy hydrogen carbonate is NOOC(=O)O.
What is the InChIKey of aminooxy hydrogen carbonate?
The InChIKey is PTRXNDWBGSLGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO4/c2-6-5-1(3)4/h2H2,(H,3,4).
What are the key properties of aminooxy hydrogen carbonate?
aminooxy hydrogen carbonate has a molecular weight of 93.04 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy hydrogen carbonate is sourced from PubChem (CID 141080921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).