cesium 2-oxopropanoate

C3H3CsO3 — CID 23676701

IUPACcesium 2-oxopropanoate
SMILESCC(=O)C(=O)[O-].[Cs+]
InChIInChI=1S/C3H4O3.Cs/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKeyDNGVGLGPVLVROB-UHFFFAOYSA-M
MW219.96 g/mol
LogP-4.67
Rot. Bonds1

About cesium 2-oxopropanoate

cesium 2-oxopropanoate (PubChem CID 23676701) has the molecular formula C3H3CsO3 and a molecular weight of 219.96 g/mol. Its IUPAC name is cesium 2-oxopropanoate.

Molecular Properties

Compound Namecesium 2-oxopropanoate
PubChem CID23676701
Molecular FormulaC3H3CsO3
Molecular Weight219.96 g/mol
Exact Mass219.91
IUPAC Namecesium 2-oxopropanoate
SMILESCC(=O)C(=O)[O-].[Cs+]
InChIInChI=1S/C3H4O3.Cs/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKeyDNGVGLGPVLVROB-UHFFFAOYSA-M
XLogP-4.67
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.96
LogP ≤ 5-4.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc;2-oxopropanoate;trihydrate
CID 18364061
calcium;2-oxopropanoate;trihydrate
CID 18324280
2-oxopropanoate;oxygen(2-);vanadium(4+);acetate
CID 53371459
acetaldehyde;2-oxo(1,2-13C2)propanoate
CID 167580573
dicesium;acetate;fluoride
CID 173118318
potassium;sodium;diacetate
CID 21470705
cesium;acetate;dihydrate
CID 175372370
potassium;methanol;acetate
CID 87290228
potassium;dichlorocopper;acetate
CID 87846781
cesium oxalate
CID 53436195
potassium;gold;palladium;acetate
CID 173229900
cesium;acetic acid;acetate
CID 175712747

Frequently Asked Questions

What is the IUPAC name of cesium 2-oxopropanoate?
The IUPAC name of cesium 2-oxopropanoate (CID 23676701) is cesium 2-oxopropanoate.
What is the SMILES notation for cesium 2-oxopropanoate?
The canonical SMILES for cesium 2-oxopropanoate is CC(=O)C(=O)[O-].[Cs+].
What is the InChIKey of cesium 2-oxopropanoate?
The InChIKey is DNGVGLGPVLVROB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O3.Cs/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1.
What are the key properties of cesium 2-oxopropanoate?
cesium 2-oxopropanoate has a molecular weight of 219.96 g/mol, XLogP of -4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-oxopropanoate is sourced from PubChem (CID 23676701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).