2,5-dioxopyrrolidin-1-yl 2-methylprop-2-enoate

• ChemBase ID: 143272
• Molecular Formular: C8H9NO4
• Molecular Mass: 183.16136
• Monoisotopic Mass: 183.05315777
• SMILES: CC(=C)C(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(C(=C)C)ON1C(=O)CCC1=O
• InChI: InChI=1S/C8H9NO4/c1-5(2)8(12)13-9-6(10)3-4-7(9)11/h1,3-4H2,2H3
• InChIKey: ACGJEMXWUYWELU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl 2-methylprop-2-enoate
• Synonyms: N-(Methacryloxy)succinimide; N-(Methacryloyloxy)succinimide; Methacrylic acid N-hydroxysuccinimide ester; 甲基丙烯酸N-羟琥珀酸亚胺酯

Database IDs

• CAS Number: 38862-25-8
• MDL Number: MFCD15072193
• PubChem SID: 162237493
• PubChem CID: 10130244

CALCULATED PROPERTIES

• Acid pKa: 17.698488
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5314165
• LogD (pH = 7.4): 0.5314165
• Log P: 0.5314165
• Molar Refractivity: 42.2023 cm^3
• Polarizability: 16.676668 Å^3
• Polar Surface Area: 63.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-105 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-43-48/20/22
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C8H9NO4

DETAILS

Sigma Aldrich - 730300

Packaging
1, 5 g in glass bottle