2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate

C14H18HgO10 — CID 170842631

IUPAC2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate
SMILESO.O.O.O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Hg+2]
InChIInChI=1S/2C7H6O3.Hg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2
InChIKeyDYWVHRCOCBGYKJ-UHFFFAOYSA-L
MW546.88 g/mol
LogP-3.09
Rot. Bonds2

About 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate

2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate (PubChem CID 170842631) has the molecular formula C14H18HgO10 and a molecular weight of 546.88 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate.

Molecular Properties

Compound Name2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate
PubChem CID170842631
Molecular FormulaC14H18HgO10
Molecular Weight546.88 g/mol
Exact Mass548.06
IUPAC Name2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate
SMILESO.O.O.O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Hg+2]
InChIInChI=1S/2C7H6O3.Hg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2
InChIKeyDYWVHRCOCBGYKJ-UHFFFAOYSA-L
XLogP-3.09
TPSA246.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.88
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate 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

2-carboxyphenolate carbonate
CID 54676053
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
sodium;hydrogen carbonate;2-hydroxybenzoic acid
CID 70482826
dicalcium bis(2-carboxyphenolate)
CID 158572383
copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
potassium 2-carboxyphenolate
CID 23689489
dilithium bis(2-carboxyphenolate)
CID 54690284
magnesium tris(2-carboxyphenolate)
CID 54714197
triazanium;tris(2-carboxyphenolate)
CID 172802459
magnesium bis(2-carboxyphenolate)
CID 54684589

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate?
The IUPAC name of 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate (CID 170842631) is 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate.
What is the SMILES notation for 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate?
The canonical SMILES for 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate is O.O.O.O.O=C(O)c1ccccc1O.O=C([O-])c1ccccc1[O-].[Hg+2].
What is the InChIKey of 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate?
The InChIKey is DYWVHRCOCBGYKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O3.Hg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2.
What are the key properties of 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate?
2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate has a molecular weight of 546.88 g/mol, XLogP of -3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;mercury(2+);2-oxidobenzoate;tetrahydrate is sourced from PubChem (CID 170842631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).