cesium 2-phenylpropanoate

C9H9CsO2 — CID 23721405

IUPACcesium 2-phenylpropanoate
SMILESCC(C(=O)[O-])c1ccccc1.[Cs+]
InChIInChI=1S/C9H10O2.Cs/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);/q;+1/p-1
InChIKeyPURWWQLDAKKCGF-UHFFFAOYSA-M
MW282.07 g/mol
LogP-2.46
Rot. Bonds2

About cesium 2-phenylpropanoate

cesium 2-phenylpropanoate (PubChem CID 23721405) has the molecular formula C9H9CsO2 and a molecular weight of 282.07 g/mol. Its IUPAC name is cesium 2-phenylpropanoate.

Molecular Properties

Compound Namecesium 2-phenylpropanoate
PubChem CID23721405
Molecular FormulaC9H9CsO2
Molecular Weight282.07 g/mol
Exact Mass281.97
IUPAC Namecesium 2-phenylpropanoate
SMILESCC(C(=O)[O-])c1ccccc1.[Cs+]
InChIInChI=1S/C9H10O2.Cs/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);/q;+1/p-1
InChIKeyPURWWQLDAKKCGF-UHFFFAOYSA-M
XLogP-2.46
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azanium 2-phenylpropanoate
CID 146635852
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
(2S)-2-(4-bromophenyl)propanoate;[(1R)-1-phenylethyl]azanium
CID 86609664
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
disodium;2-(4-oxidophenyl)propanoate
CID 171474664
(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
calcium;tris(2-(3-phenoxyphenyl)propanoate);dihydrate
CID 51371414
sodium 2-(3-methylphenyl)propanoate
CID 23706698

Frequently Asked Questions

What is the IUPAC name of cesium 2-phenylpropanoate?
The IUPAC name of cesium 2-phenylpropanoate (CID 23721405) is cesium 2-phenylpropanoate.
What is the SMILES notation for cesium 2-phenylpropanoate?
The canonical SMILES for cesium 2-phenylpropanoate is CC(C(=O)[O-])c1ccccc1.[Cs+].
What is the InChIKey of cesium 2-phenylpropanoate?
The InChIKey is PURWWQLDAKKCGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O2.Cs/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of cesium 2-phenylpropanoate?
cesium 2-phenylpropanoate has a molecular weight of 282.07 g/mol, XLogP of -2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-phenylpropanoate is sourced from PubChem (CID 23721405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).