sodium 2-hydroxyphenolate

C6H5NaO2 — CID 23688911

IUPACsodium 2-hydroxyphenolate
SMILES[Na+].[O-]c1ccccc1O
InChIInChI=1S/C6H6O2.Na/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+1/p-1
InChIKeyOVLGLKANMOUWIK-UHFFFAOYSA-M
MW132.09 g/mol
LogP-2.53
Rot. Bonds

About sodium 2-hydroxyphenolate

sodium 2-hydroxyphenolate (PubChem CID 23688911) has the molecular formula C6H5NaO2 and a molecular weight of 132.09 g/mol. Its IUPAC name is sodium 2-hydroxyphenolate.

Molecular Properties

Compound Namesodium 2-hydroxyphenolate
PubChem CID23688911
Molecular FormulaC6H5NaO2
Molecular Weight132.09 g/mol
Exact Mass132.02
IUPAC Namesodium 2-hydroxyphenolate
SMILES[Na+].[O-]c1ccccc1O
InChIInChI=1S/C6H6O2.Na/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+1/p-1
InChIKeyOVLGLKANMOUWIK-UHFFFAOYSA-M
XLogP-2.53
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxyphenolate?
The IUPAC name of sodium 2-hydroxyphenolate (CID 23688911) is sodium 2-hydroxyphenolate.
What is the SMILES notation for sodium 2-hydroxyphenolate?
The canonical SMILES for sodium 2-hydroxyphenolate is [Na+].[O-]c1ccccc1O.
What is the InChIKey of sodium 2-hydroxyphenolate?
The InChIKey is OVLGLKANMOUWIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2.Na/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+1/p-1.
What are the key properties of sodium 2-hydroxyphenolate?
sodium 2-hydroxyphenolate has a molecular weight of 132.09 g/mol, XLogP of -2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxyphenolate is sourced from PubChem (CID 23688911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).