magnesium;hydride;3,4,5-trihydroxybenzoic acid

C7H8MgO5 — CID 173071823

IUPACmagnesium;hydride;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H6O5.Mg.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1
InChIKeyOOBLOEPACSOINP-UHFFFAOYSA-N
MW196.44 g/mol
LogP0.35
Rot. Bonds1

About magnesium;hydride;3,4,5-trihydroxybenzoic acid

magnesium;hydride;3,4,5-trihydroxybenzoic acid (PubChem CID 173071823) has the molecular formula C7H8MgO5 and a molecular weight of 196.44 g/mol. Its IUPAC name is magnesium;hydride;3,4,5-trihydroxybenzoic acid.

Molecular Properties

Compound Namemagnesium;hydride;3,4,5-trihydroxybenzoic acid
PubChem CID173071823
Molecular FormulaC7H8MgO5
Molecular Weight196.44 g/mol
Exact Mass196.02
IUPAC Namemagnesium;hydride;3,4,5-trihydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H6O5.Mg.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1
InChIKeyOOBLOEPACSOINP-UHFFFAOYSA-N
XLogP0.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.44
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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lithium;lanthanum;3,4,5-trihydroxybenzoate;tris(3,4,5-trihydroxybenzoic acid)
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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;3,4,5-trihydroxybenzoic acid?
The IUPAC name of magnesium;hydride;3,4,5-trihydroxybenzoic acid (CID 173071823) is magnesium;hydride;3,4,5-trihydroxybenzoic acid.
What is the SMILES notation for magnesium;hydride;3,4,5-trihydroxybenzoic acid?
The canonical SMILES for magnesium;hydride;3,4,5-trihydroxybenzoic acid is O=C(O)c1cc(O)c(O)c(O)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;3,4,5-trihydroxybenzoic acid?
The InChIKey is OOBLOEPACSOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5.Mg.2H/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;3,4,5-trihydroxybenzoic acid?
magnesium;hydride;3,4,5-trihydroxybenzoic acid has a molecular weight of 196.44 g/mol, XLogP of 0.35, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;3,4,5-trihydroxybenzoic acid is sourced from PubChem (CID 173071823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).