sodium 2-hydroxybenzoate

C7H5NaO3 — CID 16760658

IUPACsodium 2-hydroxybenzoate
SMILESO=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyABBQHOQBGMUPJH-UHFFFAOYSA-M
MW160.10 g/mol
LogP-3.24
Rot. Bonds1

About sodium 2-hydroxybenzoate

sodium 2-hydroxybenzoate (PubChem CID 16760658) has the molecular formula C7H5NaO3 and a molecular weight of 160.10 g/mol. Its IUPAC name is sodium 2-hydroxybenzoate.

Molecular Properties

Compound Namesodium 2-hydroxybenzoate
PubChem CID16760658
Molecular FormulaC7H5NaO3
Molecular Weight160.10 g/mol
Exact Mass160.01
IUPAC Namesodium 2-hydroxybenzoate
SMILESO=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyABBQHOQBGMUPJH-UHFFFAOYSA-M
XLogP-3.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-3.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxybenzoate?
The IUPAC name of sodium 2-hydroxybenzoate (CID 16760658) is sodium 2-hydroxybenzoate.
What is the SMILES notation for sodium 2-hydroxybenzoate?
The canonical SMILES for sodium 2-hydroxybenzoate is O=C([O-])c1ccccc1O.[Na+].
What is the InChIKey of sodium 2-hydroxybenzoate?
The InChIKey is ABBQHOQBGMUPJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-hydroxybenzoate?
sodium 2-hydroxybenzoate has a molecular weight of 160.10 g/mol, XLogP of -3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxybenzoate is sourced from PubChem (CID 16760658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).