cesium;acetic acid;acetate

C4H7CsO4 — CID 175712747

IUPACcesium;acetic acid;acetate
SMILESCC(=O)O.CC(=O)[O-].[Cs+]
InChIInChI=1S/2C2H4O2.Cs/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1
InChIKeyHJJNVAQJGMIOJJ-UHFFFAOYSA-M
MW252.00 g/mol
LogP-4.15
Rot. Bonds

About cesium;acetic acid;acetate

cesium;acetic acid;acetate (PubChem CID 175712747) has the molecular formula C4H7CsO4 and a molecular weight of 252.00 g/mol. Its IUPAC name is cesium;acetic acid;acetate.

Molecular Properties

Compound Namecesium;acetic acid;acetate
PubChem CID175712747
Molecular FormulaC4H7CsO4
Molecular Weight252.00 g/mol
Exact Mass251.94
IUPAC Namecesium;acetic acid;acetate
SMILESCC(=O)O.CC(=O)[O-].[Cs+]
InChIInChI=1S/2C2H4O2.Cs/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1
InChIKeyHJJNVAQJGMIOJJ-UHFFFAOYSA-M
XLogP-4.15
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.00
LogP ≤ 5-4.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175778067
disodium;acetic acid;diacetate
CID 173429672
dipotassium;acetic acid;diacetate
CID 158588749
acetic acid;yttrium(3+);triacetate
CID 175880904
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
acetic acid;nickel(2+);diacetate
CID 159615318
disodium;acetic acid;diacetate;dihydrate
CID 157440241
potassium;acetic acid;phosphane;acetate
CID 172706632
lithium;acetic acid;palladium;acetate
CID 154700306
cesium;acetate;dihydrate
CID 175372370
dicesium;acetate;fluoride
CID 173118318

Frequently Asked Questions

What is the IUPAC name of cesium;acetic acid;acetate?
The IUPAC name of cesium;acetic acid;acetate (CID 175712747) is cesium;acetic acid;acetate.
What is the SMILES notation for cesium;acetic acid;acetate?
The canonical SMILES for cesium;acetic acid;acetate is CC(=O)O.CC(=O)[O-].[Cs+].
What is the InChIKey of cesium;acetic acid;acetate?
The InChIKey is HJJNVAQJGMIOJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H4O2.Cs/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of cesium;acetic acid;acetate?
cesium;acetic acid;acetate has a molecular weight of 252.00 g/mol, XLogP of -4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;acetic acid;acetate is sourced from PubChem (CID 175712747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).