magnesium;propan-2-ol;dinitrate

C3H8MgN2O7 — CID 172773063

IUPACmagnesium;propan-2-ol;dinitrate
SMILESCC(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H8O.Mg.2NO3/c1-3(2)4;;2*2-1(3)4/h3-4H,1-2H3;;;/q;+2;2*-1
InChIKeyNFJLNOZASSQYEP-UHFFFAOYSA-N
MW208.41 g/mol
LogP-0.47
Rot. Bonds

About magnesium;propan-2-ol;dinitrate

magnesium;propan-2-ol;dinitrate (PubChem CID 172773063) has the molecular formula C3H8MgN2O7 and a molecular weight of 208.41 g/mol. Its IUPAC name is magnesium;propan-2-ol;dinitrate.

Molecular Properties

Compound Namemagnesium;propan-2-ol;dinitrate
PubChem CID172773063
Molecular FormulaC3H8MgN2O7
Molecular Weight208.41 g/mol
Exact Mass208.02
IUPAC Namemagnesium;propan-2-ol;dinitrate
SMILESCC(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
InChIInChI=1S/C3H8O.Mg.2NO3/c1-3(2)4;;2*2-1(3)4/h3-4H,1-2H3;;;/q;+2;2*-1
InChIKeyNFJLNOZASSQYEP-UHFFFAOYSA-N
XLogP-0.47
TPSA152.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;propan-2-ol;dinitrate?
The IUPAC name of magnesium;propan-2-ol;dinitrate (CID 172773063) is magnesium;propan-2-ol;dinitrate.
What is the SMILES notation for magnesium;propan-2-ol;dinitrate?
The canonical SMILES for magnesium;propan-2-ol;dinitrate is CC(C)O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;propan-2-ol;dinitrate?
The InChIKey is NFJLNOZASSQYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.Mg.2NO3/c1-3(2)4;;2*2-1(3)4/h3-4H,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;propan-2-ol;dinitrate?
magnesium;propan-2-ol;dinitrate has a molecular weight of 208.41 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;propan-2-ol;dinitrate is sourced from PubChem (CID 172773063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).