magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid

C8H9MgNO7 — CID 173368565

IUPACmagnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid
SMILESO=C(O)c1cccc(C(=O)O)c1.O=[N+]([O-])O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H6O4.Mg.HNO3.2H/c9-7(10)5-2-1-3-6(4-5)8(11)12;;2-1(3)4;;/h1-4H,(H,9,10)(H,11,12);;(H,2,3,4);;/q;+2;;2*-1
InChIKeyVLLZZAPJHZHHBX-UHFFFAOYSA-N
MW255.47 g/mol
LogP0.58
Rot. Bonds2

About magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid

magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid (PubChem CID 173368565) has the molecular formula C8H9MgNO7 and a molecular weight of 255.47 g/mol. Its IUPAC name is magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid.

Molecular Properties

Compound Namemagnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid
PubChem CID173368565
Molecular FormulaC8H9MgNO7
Molecular Weight255.47 g/mol
Exact Mass255.02
IUPAC Namemagnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid
SMILESO=C(O)c1cccc(C(=O)O)c1.O=[N+]([O-])O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H6O4.Mg.HNO3.2H/c9-7(10)5-2-1-3-6(4-5)8(11)12;;2-1(3)4;;/h1-4H,(H,9,10)(H,11,12);;(H,2,3,4);;/q;+2;;2*-1
InChIKeyVLLZZAPJHZHHBX-UHFFFAOYSA-N
XLogP0.58
TPSA137.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
3-(3-carboxybenzoyl)benzoic acid
CID 754396
benzene-1,3-dicarboxylic acid;zinc;nitrite
CID 175401016
sodium 3-carboxybenzoate
CID 23668865
sodium;benzoic acid;nitrate
CID 157126281

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid?
The IUPAC name of magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid (CID 173368565) is magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid.
What is the SMILES notation for magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid?
The canonical SMILES for magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid is O=C(O)c1cccc(C(=O)O)c1.O=[N+]([O-])O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid?
The InChIKey is VLLZZAPJHZHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.Mg.HNO3.2H/c9-7(10)5-2-1-3-6(4-5)8(11)12;;2-1(3)4;;/h1-4H,(H,9,10)(H,11,12);;(H,2,3,4);;/q;+2;;2*-1.
What are the key properties of magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid?
magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid has a molecular weight of 255.47 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene-1,3-dicarboxylic acid;hydride;nitric acid is sourced from PubChem (CID 173368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).