zinc;benzene-1,2-diol;benzene-1,2-diolate

C12H10O4Zn — CID 157183877

IUPACzinc;benzene-1,2-diol;benzene-1,2-diolate
SMILESOc1ccccc1O.[O-]c1ccccc1[O-].[Zn+2]
InChIInChI=1S/2C6H6O2.Zn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyAOWPHZCFOWTGCH-UHFFFAOYSA-L
MW283.60 g/mol
LogP0.93
Rot. Bonds

About zinc;benzene-1,2-diol;benzene-1,2-diolate

zinc;benzene-1,2-diol;benzene-1,2-diolate (PubChem CID 157183877) has the molecular formula C12H10O4Zn and a molecular weight of 283.60 g/mol. Its IUPAC name is zinc;benzene-1,2-diol;benzene-1,2-diolate.

Molecular Properties

Compound Namezinc;benzene-1,2-diol;benzene-1,2-diolate
PubChem CID157183877
Molecular FormulaC12H10O4Zn
Molecular Weight283.60 g/mol
Exact Mass281.99
IUPAC Namezinc;benzene-1,2-diol;benzene-1,2-diolate
SMILESOc1ccccc1O.[O-]c1ccccc1[O-].[Zn+2]
InChIInChI=1S/2C6H6O2.Zn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+2/p-2
InChIKeyAOWPHZCFOWTGCH-UHFFFAOYSA-L
XLogP0.93
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.60
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-hydroxyphenolate
CID 23688911
pentakis(benzene-1,2-diolate);bis(tantalum(5+))
CID 131730579
pentakis(benzene-1,2-diolate);bis(niobium(5+))
CID 131730578
dilithium;benzene-1,2-diolate
CID 12557529
potassium;tris(benzene-1,2-diolate);titanium(4+)
CID 45028156
benzene-1,2-diol;zinc
CID 70580296
benzene-1,2-diol;ruthenium
CID 175866633
benzene-1,2-diol;vanadium(2+)
CID 159711752
bis(benzene-1,2-diol);methane
CID 158804248
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
benzene-1,2-diol;carbanide;zirconium(2+)
CID 20654665

Frequently Asked Questions

What is the IUPAC name of zinc;benzene-1,2-diol;benzene-1,2-diolate?
The IUPAC name of zinc;benzene-1,2-diol;benzene-1,2-diolate (CID 157183877) is zinc;benzene-1,2-diol;benzene-1,2-diolate.
What is the SMILES notation for zinc;benzene-1,2-diol;benzene-1,2-diolate?
The canonical SMILES for zinc;benzene-1,2-diol;benzene-1,2-diolate is Oc1ccccc1O.[O-]c1ccccc1[O-].[Zn+2].
What is the InChIKey of zinc;benzene-1,2-diol;benzene-1,2-diolate?
The InChIKey is AOWPHZCFOWTGCH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O2.Zn/c2*7-5-3-1-2-4-6(5)8;/h2*1-4,7-8H;/q;;+2/p-2.
What are the key properties of zinc;benzene-1,2-diol;benzene-1,2-diolate?
zinc;benzene-1,2-diol;benzene-1,2-diolate has a molecular weight of 283.60 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;benzene-1,2-diol;benzene-1,2-diolate is sourced from PubChem (CID 157183877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).