cesium 2-amino-4-hydroxybenzoate

C7H6CsNO3 — CID 23687369

IUPACcesium 2-amino-4-hydroxybenzoate
SMILESNc1cc(O)ccc1C(=O)[O-].[Cs+]
InChIInChI=1S/C7H7NO3.Cs/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
InChIKeyHEQIGOAOTIUPKP-UHFFFAOYSA-M
MW285.03 g/mol
LogP-3.66
Rot. Bonds1

About cesium 2-amino-4-hydroxybenzoate

cesium 2-amino-4-hydroxybenzoate (PubChem CID 23687369) has the molecular formula C7H6CsNO3 and a molecular weight of 285.03 g/mol. Its IUPAC name is cesium 2-amino-4-hydroxybenzoate.

Molecular Properties

Compound Namecesium 2-amino-4-hydroxybenzoate
PubChem CID23687369
Molecular FormulaC7H6CsNO3
Molecular Weight285.03 g/mol
Exact Mass284.94
IUPAC Namecesium 2-amino-4-hydroxybenzoate
SMILESNc1cc(O)ccc1C(=O)[O-].[Cs+]
InChIInChI=1S/C7H7NO3.Cs/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
InChIKeyHEQIGOAOTIUPKP-UHFFFAOYSA-M
XLogP-3.66
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 5-3.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cesium 2-amino-4-hydroxybenzoate?
The IUPAC name of cesium 2-amino-4-hydroxybenzoate (CID 23687369) is cesium 2-amino-4-hydroxybenzoate.
What is the SMILES notation for cesium 2-amino-4-hydroxybenzoate?
The canonical SMILES for cesium 2-amino-4-hydroxybenzoate is Nc1cc(O)ccc1C(=O)[O-].[Cs+].
What is the InChIKey of cesium 2-amino-4-hydroxybenzoate?
The InChIKey is HEQIGOAOTIUPKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3.Cs/c8-6-3-4(9)1-2-5(6)7(10)11;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1.
What are the key properties of cesium 2-amino-4-hydroxybenzoate?
cesium 2-amino-4-hydroxybenzoate has a molecular weight of 285.03 g/mol, XLogP of -3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-amino-4-hydroxybenzoate is sourced from PubChem (CID 23687369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).