tris(prop-2-en-1-yl) phosphate

• ChemBase ID: 111396
• Molecular Formular: C9H15O4P
• Molecular Mass: 218.186761
• Monoisotopic Mass: 218.07079559
• SMILES: C=CCOP(=O)(OCC=C)OCC=C
• Canonical SMILES: C=CCOP(=O)(OCC=C)OCC=C
• InChI: InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2
• InChIKey: XHGIFBQQEGRTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(prop-2-en-1-yl) phosphate
• IUPAC Traditional name: triallylphosphate
• Synonyms: TRIALLYL PHOSPHATE

Database IDs

• CAS Number: 1623-19-4
• EC Number: 216-606-5
• PubChem SID: 162096774
• PubChem CID: 15390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3075278
• LogD (pH = 7.4): 2.3075278
• Log P: 2.3075278
• Molar Refractivity: 55.5869 cm^3
• Polarizability: 21.97795 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TC8575000