1,4-diethenylbenzene; ethenylbenzene; propane-1,2,3-triol

• ChemBase ID: 151071
• Molecular Formular: C21H26O3
• Molecular Mass: 326.42934
• Monoisotopic Mass: 326.18819469
• SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.C(C(CO)O)O
• Canonical SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.OCC(CO)O
• InChI: InChI=1S/C10H10.C8H8.C3H8O3/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;4-1-3(6)2-5/h3-8H,1-2H2;2-7H,1H2;3-6H,1-2H2
• InChIKey: DCRPKCBSZXSCQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; ethenylbenzene; propane-1,2,3-triol
• IUPAC Traditional name: divinylbenzene; glycerol; styrene
• Synonyms: Glycerol, polymer-bound; 聚合物键合型甘油

Database IDs

• MDL Number: MFCD01323392
• PubChem SID: 24871124; 162245230
• PubChem CID: 16213178

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.44665
• LogD (pH = 7.4): 3.44665
• Log P: 3.44665
• Molar Refractivity: 45.4306 cm^3
• Polarizability: 17.497032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Description: Polymer support is polystyrene
• Extent of Labeling: 1-2 mmol/g glycerol loading
• Crosslinking: 1 % cross-linked with divinylbenzene

DETAILS

Sigma Aldrich - 475416

Packaging
1, 5 g in glass bottle