formyl acetate

• ChemBase ID: 125592
• Molecular Formular: C3H4O3
• Molecular Mass: 88.06206
• Monoisotopic Mass: 88.01604399
• SMILES: CC(=O)OC=O
• Canonical SMILES: O=COC(=O)C
• InChI: InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3
• InChIKey: ORWKVZNEPHTCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formyl acetate
• IUPAC Systematic name: Formyl acetate
• IUPAC Traditional name: acetic formic anhydride
• Synonyms: Formic acetic anhydride; Acetic formic anhydride

Database IDs

• CAS Number: 2258-42-6
• PubChem SID: 162219942
• PubChem CID: 75269
• Chemspider ID: 67812
• Wikipedia Title: Acetic_formic_anhydride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.36121812
• LogD (pH = 7.4): -0.36121812
• Log P: -0.36121812
• Molar Refractivity: 17.5915 cm^3
• Polarizability: 7.2452507 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true