azanium;ethanol;hydrogen carbonate

C3H11NO4 — CID 87514686

IUPACazanium;ethanol;hydrogen carbonate
SMILESCCO.O=C([O-])O.[NH4+]
InChIInChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3
InChIKeyQHFIXIVFAWSLNS-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.74
Rot. Bonds

About azanium;ethanol;hydrogen carbonate

azanium;ethanol;hydrogen carbonate (PubChem CID 87514686) has the molecular formula C3H11NO4 and a molecular weight of 125.12 g/mol. Its IUPAC name is azanium;ethanol;hydrogen carbonate.

Molecular Properties

Compound Nameazanium;ethanol;hydrogen carbonate
PubChem CID87514686
Molecular FormulaC3H11NO4
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Nameazanium;ethanol;hydrogen carbonate
SMILESCCO.O=C([O-])O.[NH4+]
InChIInChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3
InChIKeyQHFIXIVFAWSLNS-UHFFFAOYSA-N
XLogP-0.74
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;hydrogen carbonate?
The IUPAC name of azanium;ethanol;hydrogen carbonate (CID 87514686) is azanium;ethanol;hydrogen carbonate.
What is the SMILES notation for azanium;ethanol;hydrogen carbonate?
The canonical SMILES for azanium;ethanol;hydrogen carbonate is CCO.O=C([O-])O.[NH4+].
What is the InChIKey of azanium;ethanol;hydrogen carbonate?
The InChIKey is QHFIXIVFAWSLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH2O3.H3N/c1-2-3;2-1(3)4;/h3H,2H2,1H3;(H2,2,3,4);1H3.
What are the key properties of azanium;ethanol;hydrogen carbonate?
azanium;ethanol;hydrogen carbonate has a molecular weight of 125.12 g/mol, XLogP of -0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;hydrogen carbonate is sourced from PubChem (CID 87514686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).