sodium;4-amino-2-hydroxybenzoate;hydrate

C7H8NNaO4 — CID 25102424

IUPACsodium;4-amino-2-hydroxybenzoate;hydrate
SMILESNc1ccc(C(=O)[O-])c(O)c1.O.[Na+]
InChIInChI=1S/C7H7NO3.Na.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyHEIRCJNUUKDFDB-UHFFFAOYSA-M
MW193.13 g/mol
LogP-4.48
Rot. Bonds1

About sodium;4-amino-2-hydroxybenzoate;hydrate

sodium;4-amino-2-hydroxybenzoate;hydrate (PubChem CID 25102424) has the molecular formula C7H8NNaO4 and a molecular weight of 193.13 g/mol. Its IUPAC name is sodium;4-amino-2-hydroxybenzoate;hydrate.

Molecular Properties

Compound Namesodium;4-amino-2-hydroxybenzoate;hydrate
PubChem CID25102424
Molecular FormulaC7H8NNaO4
Molecular Weight193.13 g/mol
Exact Mass193.04
IUPAC Namesodium;4-amino-2-hydroxybenzoate;hydrate
SMILESNc1ccc(C(=O)[O-])c(O)c1.O.[Na+]
InChIInChI=1S/C7H7NO3.Na.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyHEIRCJNUUKDFDB-UHFFFAOYSA-M
XLogP-4.48
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-4.48
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;hydrate?
The IUPAC name of sodium;4-amino-2-hydroxybenzoate;hydrate (CID 25102424) is sodium;4-amino-2-hydroxybenzoate;hydrate.
What is the SMILES notation for sodium;4-amino-2-hydroxybenzoate;hydrate?
The canonical SMILES for sodium;4-amino-2-hydroxybenzoate;hydrate is Nc1ccc(C(=O)[O-])c(O)c1.O.[Na+].
What is the InChIKey of sodium;4-amino-2-hydroxybenzoate;hydrate?
The InChIKey is HEIRCJNUUKDFDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3.Na.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,9H,8H2,(H,10,11);;1H2/q;+1;/p-1.
What are the key properties of sodium;4-amino-2-hydroxybenzoate;hydrate?
sodium;4-amino-2-hydroxybenzoate;hydrate has a molecular weight of 193.13 g/mol, XLogP of -4.48, 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;hydrate is sourced from PubChem (CID 25102424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).