3-(prop-2-en-1-yl)oxolane-2,5-dione

• ChemBase ID: 88293
• Molecular Formular: C7H8O3
• Molecular Mass: 140.13662
• Monoisotopic Mass: 140.04734412
• SMILES: O1C(=O)C(CC1=O)CC=C
• Canonical SMILES: C=CCC1CC(=O)OC1=O
• InChI: InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2
• InChIKey: WUMMIJWEUDHZCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(prop-2-en-1-yl)oxolane-2,5-dione
• IUPAC Traditional name: succinic anhydride, allyl-
• Synonyms: 3-(Prop-2-en-1-yl)dihydrofuran-2,5-dione; 3-Allyldihydrofuran-2,5-dione; Allylsuccinic anhydride

Database IDs

• CAS Number: 7539-12-0
• PubChem SID: 162075270
• PubChem CID: 111009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.86382467
• LogD (pH = 7.4): 0.86382467
• Log P: 0.86382467
• Molar Refractivity: 34.1522 cm^3
• Polarizability: 13.5419235 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 145°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon