ethenol; formaldehyde

• ChemBase ID: 303765
• Molecular Formular: C3H6O2
• Molecular Mass: 74.07854
• Monoisotopic Mass: 74.03677943
• SMILES: C=CO.C=O
• Canonical SMILES: OC=C.C=O
• InChI: InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2
• InChIKey: HIDUXZXZQUHSBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenol; formaldehyde
• IUPAC Traditional name: formaldehyde; vinyl alcohol
• Synonyms: Poly(vinyl formal); 聚乙烯醇缩甲醛

Database IDs

• CAS Number: 9003-33-2
• MDL Number: MFCD00084463

CALCULATED PROPERTIES

• Acid pKa: 10.3090725
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5163897
• LogD (pH = 7.4): 0.5158615
• Log P: 0.51639646
• Molar Refractivity: 11.9535 cm^3
• Polarizability: 4.7918406 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in acetone, chloroform, dioxane, THF
• Apperance: Granular/ powder
• Density: 1.23

Safety Information

• TSCA Listed: 是