2-hydroxypropanoate;phenylmercury(1+)

C9H10HgO3 — CID 67544272

IUPAC2-hydroxypropanoate;phenylmercury(1+)
SMILESCC(O)C(=O)[O-].[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C3H6O3.Hg/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-5H;2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyRRFGSWMKSSCUSU-UHFFFAOYSA-M
MW366.77 g/mol
LogP-1.02
Rot. Bonds1

About 2-hydroxypropanoate;phenylmercury(1+)

2-hydroxypropanoate;phenylmercury(1+) (PubChem CID 67544272) has the molecular formula C9H10HgO3 and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-hydroxypropanoate;phenylmercury(1+).

Molecular Properties

Compound Name2-hydroxypropanoate;phenylmercury(1+)
PubChem CID67544272
Molecular FormulaC9H10HgO3
Molecular Weight366.77 g/mol
Exact Mass368.03
IUPAC Name2-hydroxypropanoate;phenylmercury(1+)
SMILESCC(O)C(=O)[O-].[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C3H6O3.Hg/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-5H;2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyRRFGSWMKSSCUSU-UHFFFAOYSA-M
XLogP-1.02
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;tris(2-hydroxypropanoate);tribenzoate
CID 70022371
azane;phenylmercury(1+);acetate
CID 90478884
methylmercury(1+);phenylmercury(1+);acetate;chloride
CID 67854613
2-hydroxypropanoate;(E)-3-phenylprop-2-enoate
CID 21183403
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;phenylmercury(1+)?
The IUPAC name of 2-hydroxypropanoate;phenylmercury(1+) (CID 67544272) is 2-hydroxypropanoate;phenylmercury(1+).
What is the SMILES notation for 2-hydroxypropanoate;phenylmercury(1+)?
The canonical SMILES for 2-hydroxypropanoate;phenylmercury(1+) is CC(O)C(=O)[O-].[Hg+]c1ccccc1.
What is the InChIKey of 2-hydroxypropanoate;phenylmercury(1+)?
The InChIKey is RRFGSWMKSSCUSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C3H6O3.Hg/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-5H;2,4H,1H3,(H,5,6);/q;;+1/p-1.
What are the key properties of 2-hydroxypropanoate;phenylmercury(1+)?
2-hydroxypropanoate;phenylmercury(1+) has a molecular weight of 366.77 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;phenylmercury(1+) is sourced from PubChem (CID 67544272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).