sodium;(2-carboxy-3-methylphenyl)mercury;hydrate

C8H9HgNaO3+ — CID 6452728

IUPACsodium;(2-carboxy-3-methylphenyl)mercury;hydrate
SMILESCc1cccc([Hg])c1C(=O)O.O.[Na+]
InChIInChI=1S/C8H7O2.Hg.Na.H2O/c1-6-4-2-3-5-7(6)8(9)10;;;/h2-4H,1H3,(H,9,10);;;1H2/q;;+1;
InChIKeyBGCXWPVJOAXCFT-UHFFFAOYSA-N
MW376.74 g/mol
LogP-2.96
Rot. Bonds1

About sodium;(2-carboxy-3-methylphenyl)mercury;hydrate

sodium;(2-carboxy-3-methylphenyl)mercury;hydrate (PubChem CID 6452728) has the molecular formula C8H9HgNaO3+ and a molecular weight of 376.74 g/mol. Its IUPAC name is sodium;(2-carboxy-3-methylphenyl)mercury;hydrate.

Molecular Properties

Compound Namesodium;(2-carboxy-3-methylphenyl)mercury;hydrate
PubChem CID6452728
Molecular FormulaC8H9HgNaO3+
Molecular Weight376.74 g/mol
Exact Mass378.02
IUPAC Namesodium;(2-carboxy-3-methylphenyl)mercury;hydrate
SMILESCc1cccc([Hg])c1C(=O)O.O.[Na+]
InChIInChI=1S/C8H7O2.Hg.Na.H2O/c1-6-4-2-3-5-7(6)8(9)10;;;/h2-4H,1H3,(H,9,10);;;1H2/q;;+1;
InChIKeyBGCXWPVJOAXCFT-UHFFFAOYSA-N
XLogP-2.96
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.74
LogP ≤ 5-2.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-methylbenzoic acid
CID 13478132
2-ethynoxy-6-methylbenzoic acid
CID 174180001
2-(2-carboxy-6-methylbenzoyl)oxycarbonyl-3-methylbenzoic acid
CID 21117283
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
2-acetamido-6-methylbenzoic acid
CID 2801400
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69125479
(2-carboxy-3-methylphenyl)-phenyliodanium
CID 13399378
2-acetyl-3-methylbenzoic acid
CID 23423450
2-(2-cyanoethenyl)-6-methylbenzoic acid
CID 169483683
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
2,6-dimethylbenzoyl iodide
CID 87941795

Frequently Asked Questions

What is the IUPAC name of sodium;(2-carboxy-3-methylphenyl)mercury;hydrate?
The IUPAC name of sodium;(2-carboxy-3-methylphenyl)mercury;hydrate (CID 6452728) is sodium;(2-carboxy-3-methylphenyl)mercury;hydrate.
What is the SMILES notation for sodium;(2-carboxy-3-methylphenyl)mercury;hydrate?
The canonical SMILES for sodium;(2-carboxy-3-methylphenyl)mercury;hydrate is Cc1cccc([Hg])c1C(=O)O.O.[Na+].
What is the InChIKey of sodium;(2-carboxy-3-methylphenyl)mercury;hydrate?
The InChIKey is BGCXWPVJOAXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2.Hg.Na.H2O/c1-6-4-2-3-5-7(6)8(9)10;;;/h2-4H,1H3,(H,9,10);;;1H2/q;;+1;.
What are the key properties of sodium;(2-carboxy-3-methylphenyl)mercury;hydrate?
sodium;(2-carboxy-3-methylphenyl)mercury;hydrate has a molecular weight of 376.74 g/mol, XLogP of -2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2-carboxy-3-methylphenyl)mercury;hydrate is sourced from PubChem (CID 6452728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).