sodium benzoate

C7H5NaO2 — CID 517055

IUPACsodium benzoate
SMILESO=C([O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKeyWXMKPNITSTVMEF-UHFFFAOYSA-M
MW144.10 g/mol
LogP-2.95
Rot. Bonds1

About sodium benzoate

sodium benzoate (PubChem CID 517055) has the molecular formula C7H5NaO2 and a molecular weight of 144.10 g/mol. Its IUPAC name is sodium benzoate.

Molecular Properties

Compound Namesodium benzoate
PubChem CID517055
Molecular FormulaC7H5NaO2
Molecular Weight144.10 g/mol
Exact Mass144.02
IUPAC Namesodium benzoate
SMILESO=C([O-])c1ccccc1.[Na+]
InChIInChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKeyWXMKPNITSTVMEF-UHFFFAOYSA-M
XLogP-2.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-2.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoic Acid
CID 243
Benzyl Benzoate
CID 2345
Benzoyl Peroxide
CID 7187
Phthalic Acid
CID 1017
Methyl Benzoate
CID 7150
Terephthalic Acid
CID 7489
Thimerosal
CID 16684434
Dimethyl terephthalate
CID 8441
Isophthalic Acid
CID 8496
Butyl Benzoate
CID 8698
P-Toluic Acid
CID 7470
Potassium Benzoate
CID 23661960

Frequently Asked Questions

What is the IUPAC name of sodium benzoate?
The IUPAC name of sodium benzoate (CID 517055) is sodium benzoate.
What is the SMILES notation for sodium benzoate?
The canonical SMILES for sodium benzoate is O=C([O-])c1ccccc1.[Na+].
What is the InChIKey of sodium benzoate?
The InChIKey is WXMKPNITSTVMEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1.
What are the key properties of sodium benzoate?
sodium benzoate has a molecular weight of 144.10 g/mol, XLogP of -2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium benzoate is sourced from PubChem (CID 517055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).