Phenylmercury Acetate

CAS: 62-38-4 · C8H8HgO2

2D Structure

Loading 3D structure...

CAS Registry Number

62-38-4

SMILES

CC(=O)[O-].[Hg+].[c]1ccccc1

InChI Key

XEBWQGVWTUSTLN-UHFFFAOYSA-M

InChI

InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1

Comprehensive physical and chemical properties

Property	Value	Source
Density	2.40 g/cm³	CAS Common Chemistry
	2.400 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Phenylmercury_acetate	CAS Common Chemistry
Canonical SMILES	O=C(O[Hg]C=1C=CC=CC1)C	CAS Common Chemistry
InChI	InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1	CAS Common Chemistry
InChI Key	InChIKey=XEBWQGVWTUSTLN-UHFFFAOYSA-M	CAS Common Chemistry
Melting Point	149 °C	CAS Common Chemistry
Name	Phenylmercuric acetate	CAS Common Chemistry
	Phenylmercury acetate	CAS Common Chemistry
Molecular Mass	336.74000000000007 g/mol	RDKit
	338.023072496 g/mol	RDKit
	336.74 g/mol	RDKit
	339.766 g/mol	chempirical lib
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	40.129999999999995 Å²	RDKit
	40.13 Å²	RDKit
LogP	0.24048999999999987	RDKit
	0.2405	RDKit
Molar Refractivity	35.959 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.125	RDKit
	0.12	chempirical lib
Exact Mass	336.74 g/mol	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 336.74 g/mol; density = 2.400 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)