Phenolphthalexon

Base Information

• Chemical Name: Phenolphthalexon
• CAS No.: 25296-54-2
• Molecular Formula: C30H28 N2 O12
• Molecular Weight: 608.55000
• European Community (EC) Number: 246-796-5
• DSSTox Substance ID: DTXSID20897393
• Nikkaji Number: J16.900E
• Wikidata: Q82873332
• Mol file: 25296-54-2.mol

Synonyms:indium phenolphthalexon;phenolphthalein complexone;phenolphthalexon;phenolphthalexon, tetrasodium salt

Chemical Property of Phenolphthalexon

Chemical Property:

• Boiling Point: 903.4±65.0 °C(Predicted)
• PKA: 1.47±0.10(Predicted)
• PSA: 222.44000
• Density: 1.570±0.06 g/cm3(Predicted)
• LogP: 1.50250
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 608.16422433
• Heavy Atom Count: 44
• Complexity: 990

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)O)CC(=O)O)C4=CC(=C(C=C4)O)CN(CC(=O)O)CC(=O)O