Methylparaben sodiumProduct ingredient for Methylparaben
- Name
- Methylparaben sodium
- Drug Entry
- Methylparaben
Methylparaben is used in allergenic testing.
- Accession Number
- DBSALT002761
- Structure
- Synonyms
- Methylparaben, sodium salt / Sodium 4-carbomethoxyphenolate / Sodium methylparaben / Sodium p-methoxycarbonylphenoxide
- UNII
- CR6K9C2NHK
- CAS Number
- 5026-62-0
- Weight
- Average: 174.131
Monoisotopic: 174.02928837 - Chemical Formula
- C8H7NaO3
- InChI Key
- PESXGULMKCKJCC-UHFFFAOYSA-M
- InChI
- InChI=1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1
- IUPAC Name
- sodium 4-(methoxycarbonyl)benzen-1-olate
- SMILES
- [Na+].COC(=O)C1=CC=C([O-])C=C1
- External Links
- ChemSpider
- 19863
- ChEMBL
- CHEMBL2106903
- Predicted Properties
Property Value Source Water Solubility 11.8 mg/mL ALOGPS logP 1.32 ALOGPS logP 1.67 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 8.5 Chemaxon pKa (Strongest Basic) -6.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.36 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 50.61 m3·mol-1 Chemaxon Polarizability 14.74 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon