Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)

C7H7KNO3 — CID 90149789

IUPAC—
SMILESNc1ccc(O)c(C(=O)O)c1.[K]
InChIInChI=1S/C7H7NO3.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);
InChIKeyPCCAPOBWBWTLLB-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.29
Rot. Bonds1

About Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)

Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1) (PubChem CID 90149789) has the molecular formula C7H7KNO3 and a molecular weight of 192.24 g/mol.

Molecular Properties

Compound NameBenzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)
PubChem CID90149789
Molecular FormulaC7H7KNO3
Molecular Weight192.24 g/mol
Exact Mass192.01
IUPAC Name—
SMILESNc1ccc(O)c(C(=O)O)c1.[K]
InChIInChI=1S/C7H7NO3.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);
InChIKeyPCCAPOBWBWTLLB-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)?
The IUPAC name of Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1) (CID 90149789) is not available.
What is the SMILES notation for Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)?
The canonical SMILES for Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1) is Nc1ccc(O)c(C(=O)O)c1.[K].
What is the InChIKey of Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)?
The InChIKey is PCCAPOBWBWTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.K/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);.
What are the key properties of Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1)?
Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1) has a molecular weight of 192.24 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzoic acid, 5-amino-2-hydroxy-, potassium salt (1:1) is sourced from PubChem (CID 90149789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).