carboxylato carbonate;thorium(2+)

C2O5Th — CID 21149383

IUPACcarboxylato carbonate;thorium(2+)
SMILESO=C([O-])OC(=O)[O-].[Th+2]
InChIInChI=1S/C2H2O5.Th/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKeyTTXYYEFFAOWSRJ-UHFFFAOYSA-L
MW336.06 g/mol
LogP-2.31
Rot. Bonds

About carboxylato carbonate;thorium(2+)

carboxylato carbonate;thorium(2+) (PubChem CID 21149383) has the molecular formula C2O5Th and a molecular weight of 336.06 g/mol. Its IUPAC name is carboxylato carbonate;thorium(2+).

Molecular Properties

Compound Namecarboxylato carbonate;thorium(2+)
PubChem CID21149383
Molecular FormulaC2O5Th
Molecular Weight336.06 g/mol
Exact Mass336.01
IUPAC Namecarboxylato carbonate;thorium(2+)
SMILESO=C([O-])OC(=O)[O-].[Th+2]
InChIInChI=1S/C2H2O5.Th/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKeyTTXYYEFFAOWSRJ-UHFFFAOYSA-L
XLogP-2.31
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.06
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carboxylato carbonate;bis(samarium(3+))
CID 160687962
carboxylato carbonate;iron(3+)
CID 172818813
magnesium carboxylato carbonate
CID 87890039
carboxylatooxycarbonyl carbonate;bis(gadolinium(3+))
CID 170843196
cesium;potassium;carboxylatooxycarbonyl carbonate
CID 174165319
trisodium;carboxy carbonate;dihydrate
CID 140596091
calcium;ruthenium;carbonate
CID 87309849
diazanium;oxido carbonate
CID 22665386
calcium bromo carbonate
CID 142761680
lithium phosphanyl carbonate
CID 174883417
lithium fluoro carbonate
CID 175046605
sodium iodo carbonate
CID 174948580

Frequently Asked Questions

What is the IUPAC name of carboxylato carbonate;thorium(2+)?
The IUPAC name of carboxylato carbonate;thorium(2+) (CID 21149383) is carboxylato carbonate;thorium(2+).
What is the SMILES notation for carboxylato carbonate;thorium(2+)?
The canonical SMILES for carboxylato carbonate;thorium(2+) is O=C([O-])OC(=O)[O-].[Th+2].
What is the InChIKey of carboxylato carbonate;thorium(2+)?
The InChIKey is TTXYYEFFAOWSRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O5.Th/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2.
What are the key properties of carboxylato carbonate;thorium(2+)?
carboxylato carbonate;thorium(2+) has a molecular weight of 336.06 g/mol, XLogP of -2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxylato carbonate;thorium(2+) is sourced from PubChem (CID 21149383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).