cesium 3-hydroxypropanoate

C3H5CsO3 — CID 20822790

IUPACcesium 3-hydroxypropanoate
SMILESO=C([O-])CCO.[Cs+]
InChIInChI=1S/C3H6O3.Cs/c4-2-1-3(5)6;/h4H,1-2H2,(H,5,6);/q;+1/p-1
InChIKeyKJUNNLOHFQOKDM-UHFFFAOYSA-M
MW221.97 g/mol
LogP-4.88
Rot. Bonds2

About cesium 3-hydroxypropanoate

cesium 3-hydroxypropanoate (PubChem CID 20822790) has the molecular formula C3H5CsO3 and a molecular weight of 221.97 g/mol. Its IUPAC name is cesium 3-hydroxypropanoate.

Molecular Properties

Compound Namecesium 3-hydroxypropanoate
PubChem CID20822790
Molecular FormulaC3H5CsO3
Molecular Weight221.97 g/mol
Exact Mass221.93
IUPAC Namecesium 3-hydroxypropanoate
SMILESO=C([O-])CCO.[Cs+]
InChIInChI=1S/C3H6O3.Cs/c4-2-1-3(5)6;/h4H,1-2H2,(H,5,6);/q;+1/p-1
InChIKeyKJUNNLOHFQOKDM-UHFFFAOYSA-M
XLogP-4.88
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.97
LogP ≤ 5-4.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
bis(butanedioate);osmium(4+)
CID 159559487
30-hydroxytriacontanoate
CID 71768153
copper;zinc;bis(butanedioate)
CID 159835693
azanium;lithium;butanedioate
CID 18352245
magnesium bis(6-hydroxyhexanoate)
CID 156828255
tetrakis(6-hydroxyhexanoate);titanium(4+)
CID 173190701
strontium bis(6-hydroxyhexanoate)
CID 156828259
bis(bis(2-hydroxyethyl)azanium);butanedioate
CID 87299345
disodium;butanedioate;ethanol
CID 86659235
2-hydroxyacetate
CID 5460308
CID 173101164
CID 173101164

Frequently Asked Questions

What is the IUPAC name of cesium 3-hydroxypropanoate?
The IUPAC name of cesium 3-hydroxypropanoate (CID 20822790) is cesium 3-hydroxypropanoate.
What is the SMILES notation for cesium 3-hydroxypropanoate?
The canonical SMILES for cesium 3-hydroxypropanoate is O=C([O-])CCO.[Cs+].
What is the InChIKey of cesium 3-hydroxypropanoate?
The InChIKey is KJUNNLOHFQOKDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.Cs/c4-2-1-3(5)6;/h4H,1-2H2,(H,5,6);/q;+1/p-1.
What are the key properties of cesium 3-hydroxypropanoate?
cesium 3-hydroxypropanoate has a molecular weight of 221.97 g/mol, XLogP of -4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 3-hydroxypropanoate is sourced from PubChem (CID 20822790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).