sodium 4-amino-2-hydroxybenzoate

C7H6NNaO3 — CID 2724368

IUPACsodium 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)[O-])c(O)c1.[Na+]
InChIInChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
InChIKeyFVVDKUPCWXUVNP-UHFFFAOYSA-M
MW175.12 g/mol
LogP-3.66
Rot. Bonds1

About sodium 4-amino-2-hydroxybenzoate

sodium 4-amino-2-hydroxybenzoate (PubChem CID 2724368) has the molecular formula C7H6NNaO3 and a molecular weight of 175.12 g/mol. Its IUPAC name is sodium 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Namesodium 4-amino-2-hydroxybenzoate
PubChem CID2724368
Molecular FormulaC7H6NNaO3
Molecular Weight175.12 g/mol
Exact Mass175.02
IUPAC Namesodium 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)[O-])c(O)c1.[Na+]
InChIInChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
InChIKeyFVVDKUPCWXUVNP-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 ≤ 500175.12
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 sodium 4-amino-2-hydroxybenzoate?
The IUPAC name of sodium 4-amino-2-hydroxybenzoate (CID 2724368) is sodium 4-amino-2-hydroxybenzoate.
What is the SMILES notation for sodium 4-amino-2-hydroxybenzoate?
The canonical SMILES for sodium 4-amino-2-hydroxybenzoate is Nc1ccc(C(=O)[O-])c(O)c1.[Na+].
What is the InChIKey of sodium 4-amino-2-hydroxybenzoate?
The InChIKey is FVVDKUPCWXUVNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 4-amino-2-hydroxybenzoate?
sodium 4-amino-2-hydroxybenzoate has a molecular weight of 175.12 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 sodium 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 2724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).