oxomercury;toluene

C7H8HgO — CID 174717666

IUPACoxomercury;toluene
SMILESCc1ccccc1.O=[Hg]
InChIInChI=1S/C7H8.Hg.O/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;
InChIKeyCIGRBQPAPSOCRA-UHFFFAOYSA-N
MW308.73 g/mol
LogP1.87
Rot. Bonds

About oxomercury;toluene

oxomercury;toluene (PubChem CID 174717666) has the molecular formula C7H8HgO and a molecular weight of 308.73 g/mol. Its IUPAC name is oxomercury;toluene.

Molecular Properties

Compound Nameoxomercury;toluene
PubChem CID174717666
Molecular FormulaC7H8HgO
Molecular Weight308.73 g/mol
Exact Mass310.03
IUPAC Nameoxomercury;toluene
SMILESCc1ccccc1.O=[Hg]
InChIInChI=1S/C7H8.Hg.O/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;
InChIKeyCIGRBQPAPSOCRA-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173046685
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CID 160574470
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CID 22272177
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CID 91350799
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bismuthane;toluene
CID 173370039

Frequently Asked Questions

What is the IUPAC name of oxomercury;toluene?
The IUPAC name of oxomercury;toluene (CID 174717666) is oxomercury;toluene.
What is the SMILES notation for oxomercury;toluene?
The canonical SMILES for oxomercury;toluene is Cc1ccccc1.O=[Hg].
What is the InChIKey of oxomercury;toluene?
The InChIKey is CIGRBQPAPSOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.Hg.O/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;.
What are the key properties of oxomercury;toluene?
oxomercury;toluene has a molecular weight of 308.73 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxomercury;toluene is sourced from PubChem (CID 174717666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).