cesium 4-hydroxybenzoate

C7H5CsO3 — CID 162003528

IUPACcesium 4-hydroxybenzoate
SMILESO=C([O-])c1ccc(O)cc1.[Cs+]
InChIInChI=1S/C7H6O3.Cs/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyYSNIUZVLBHPNKV-UHFFFAOYSA-M
MW270.02 g/mol
LogP-3.24
Rot. Bonds1

About cesium 4-hydroxybenzoate

cesium 4-hydroxybenzoate (PubChem CID 162003528) has the molecular formula C7H5CsO3 and a molecular weight of 270.02 g/mol. Its IUPAC name is cesium 4-hydroxybenzoate.

Molecular Properties

Compound Namecesium 4-hydroxybenzoate
PubChem CID162003528
Molecular FormulaC7H5CsO3
Molecular Weight270.02 g/mol
Exact Mass269.93
IUPAC Namecesium 4-hydroxybenzoate
SMILESO=C([O-])c1ccc(O)cc1.[Cs+]
InChIInChI=1S/C7H6O3.Cs/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyYSNIUZVLBHPNKV-UHFFFAOYSA-M
XLogP-3.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.02
LogP ≤ 5-3.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane-1,2-diol;iron(2+);terephthalate
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Frequently Asked Questions

What is the IUPAC name of cesium 4-hydroxybenzoate?
The IUPAC name of cesium 4-hydroxybenzoate (CID 162003528) is cesium 4-hydroxybenzoate.
What is the SMILES notation for cesium 4-hydroxybenzoate?
The canonical SMILES for cesium 4-hydroxybenzoate is O=C([O-])c1ccc(O)cc1.[Cs+].
What is the InChIKey of cesium 4-hydroxybenzoate?
The InChIKey is YSNIUZVLBHPNKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.Cs/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1.
What are the key properties of cesium 4-hydroxybenzoate?
cesium 4-hydroxybenzoate has a molecular weight of 270.02 g/mol, XLogP of -3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 4-hydroxybenzoate is sourced from PubChem (CID 162003528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).