Propylparaben calciumProduct ingredient for Propylparaben
- Name
- Propylparaben calcium
- Drug Entry
- Propylparaben
Propylparaben is used in allergenic testing.
- Accession Number
- DBSALT002755
- Structure
Structure for Propylparaben calcium (DBSALT002755)
- Synonyms
- Not Available
- UNII
- 5120ZH21JA
- CAS Number
- 83542-69-2
- Weight
- Average: 398.468
Monoisotopic: 398.1042293 - Chemical Formula
- C20H22CaO6
- InChI Key
- WOCSLYGVQTVYAB-UHFFFAOYSA-L
- InChI
- InChI=1S/2C10H12O3.Ca/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h2*3-6,11H,2,7H2,1H3;/q;;+2/p-2
- IUPAC Name
- calcium bis(4-(propoxycarbonyl)benzen-1-olate)
- SMILES
- [Ca++].CCCOC(=O)C1=CC=C([O-])C=C1.CCCOC(=O)C1=CC=C([O-])C=C1
- External Links
- ChemSpider
- 34984983
- Predicted Properties
Property Value Source Water Solubility 0.00306 mg/mL ALOGPS logP 4.7 ALOGPS logP 2.55 Chemaxon logS -5.1 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 8 Chemaxon Refractivity 59.89 m3·mol-1 Chemaxon Polarizability 18.93 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon