silanone methyl propanoate

• ChemBase ID: 138372
• Molecular Formular: C4H10O3Si
• Molecular Mass: 134.2059
• Monoisotopic Mass: 134.03992071
• SMILES: CCC(=O)OC.O=[SiH2]
• Canonical SMILES: CCC(=O)OC.O=[SiH2]
• InChI: InChI=1S/C4H8O2.H2OSi/c1-3-4(5)6-2;1-2/h3H2,1-2H3;2H2
• InChIKey: MPPAJUUNVSXOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: silanone methyl propanoate
• IUPAC Traditional name: silicon monoxide methyl propionate
• Synonyms: 2-(Carbomethoxy)ethyl-functionalized silica gel; 2-(甲氧羰基)乙基官能化硅胶

Database IDs

• MDL Number: MFCD03095905
• PubChem SID: 162232628
• PubChem CID: 45052167

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230842
• LogD (pH = 7.4): 0.6230842
• Log P: 0.6230842
• Molar Refractivity: 22.0397 cm^3
• Polarizability: 8.888966 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1.6 mmol/g loading