dicesium;oxalate;oxalic acid

C4H2Cs2O8 — CID 139047243

IUPACdicesium;oxalate;oxalic acid
SMILESO=C(O)C(=O)O.O=C([O-])C(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/2C2H2O4.2Cs/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+1/p-2
InChIKeyPFZZXVGYVXWWJI-UHFFFAOYSA-L
MW443.86 g/mol
LogP-10.35
Rot. Bonds

About dicesium;oxalate;oxalic acid

dicesium;oxalate;oxalic acid (PubChem CID 139047243) has the molecular formula C4H2Cs2O8 and a molecular weight of 443.86 g/mol. Its IUPAC name is dicesium;oxalate;oxalic acid.

Molecular Properties

Compound Namedicesium;oxalate;oxalic acid
PubChem CID139047243
Molecular FormulaC4H2Cs2O8
Molecular Weight443.86 g/mol
Exact Mass443.79
IUPAC Namedicesium;oxalate;oxalic acid
SMILESO=C(O)C(=O)O.O=C([O-])C(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/2C2H2O4.2Cs/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+1/p-2
InChIKeyPFZZXVGYVXWWJI-UHFFFAOYSA-L
XLogP-10.35
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 5-10.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cesium oxalate
CID 53436195
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
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hydron;2-hydroxy-2-oxoacetate
CID 173323775
oxalate;platinum(2+)
CID 22066175
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044
oxalate;bis(ruthenium(3+))
CID 57371303
oxalate;rhodium(2+)
CID 22015935

Frequently Asked Questions

What is the IUPAC name of dicesium;oxalate;oxalic acid?
The IUPAC name of dicesium;oxalate;oxalic acid (CID 139047243) is dicesium;oxalate;oxalic acid.
What is the SMILES notation for dicesium;oxalate;oxalic acid?
The canonical SMILES for dicesium;oxalate;oxalic acid is O=C(O)C(=O)O.O=C([O-])C(=O)[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;oxalate;oxalic acid?
The InChIKey is PFZZXVGYVXWWJI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2O4.2Cs/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);;/q;;2*+1/p-2.
What are the key properties of dicesium;oxalate;oxalic acid?
dicesium;oxalate;oxalic acid has a molecular weight of 443.86 g/mol, XLogP of -10.35, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;oxalate;oxalic acid is sourced from PubChem (CID 139047243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).