2-methyl-4-(oxiran-2-yl)but-2-enoate

• ChemBase ID: 796342
• Molecular Formular: C7H9O3-
• Molecular Mass: 141.14456
• Monoisotopic Mass: 141.05516915
• SMILES: CC(=CCC1OC1)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(=CCC1CO1)C
• InChI: InChI=1S/C7H10O3/c1-5(7(8)9)2-3-6-4-10-6/h2,6H,3-4H2,1H3,(H,8,9)/p-1
• InChIKey: HAUVRGZOEXGUJS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(oxiran-2-yl)but-2-enoate
• IUPAC Traditional name: 2-methyl-4-(oxiran-2-yl)but-2-enoate
• Synonyms: GlycidylMethacrylate

Database IDs

• CAS Number: 106-91-2

CALCULATED PROPERTIES

• Acid pKa: 4.5503955
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.14029554
• LogD (pH = 7.4): -1.9134021
• Log P: 0.85439146
• Molar Refractivity: 47.1412 cm^3
• Polarizability: 13.793638 Å^3
• Polar Surface Area: 52.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%