azanium phenyl phosphite

C6H9NO3P- — CID 21332933

IUPACazanium phenyl phosphite
SMILES[NH4+].[O-]P([O-])Oc1ccccc1
InChIInChI=1S/C6H5O3P.H3N/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H;1H3/q-2;/p+1
InChIKeySUJJILKUTKJWDW-UHFFFAOYSA-O
MW174.12 g/mol
LogP0.39
Rot. Bonds2

About azanium phenyl phosphite

azanium phenyl phosphite (PubChem CID 21332933) has the molecular formula C6H9NO3P- and a molecular weight of 174.12 g/mol. Its IUPAC name is azanium phenyl phosphite.

Molecular Properties

Compound Nameazanium phenyl phosphite
PubChem CID21332933
Molecular FormulaC6H9NO3P-
Molecular Weight174.12 g/mol
Exact Mass174.03
IUPAC Nameazanium phenyl phosphite
SMILES[NH4+].[O-]P([O-])Oc1ccccc1
InChIInChI=1S/C6H5O3P.H3N/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H;1H3/q-2;/p+1
InChIKeySUJJILKUTKJWDW-UHFFFAOYSA-O
XLogP0.39
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium phenyl phosphite?
The IUPAC name of azanium phenyl phosphite (CID 21332933) is azanium phenyl phosphite.
What is the SMILES notation for azanium phenyl phosphite?
The canonical SMILES for azanium phenyl phosphite is [NH4+].[O-]P([O-])Oc1ccccc1.
What is the InChIKey of azanium phenyl phosphite?
The InChIKey is SUJJILKUTKJWDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5O3P.H3N/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H;1H3/q-2;/p+1.
What are the key properties of azanium phenyl phosphite?
azanium phenyl phosphite has a molecular weight of 174.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium phenyl phosphite is sourced from PubChem (CID 21332933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).