sodium prop-2-enoate

• ChemBase ID: 111282
• Molecular Formular: C3H3NaO2
• Molecular Mass: 94.04449
• Monoisotopic Mass: 94.00307362
• SMILES: [Na+].[O-]C(=O)C=C
• Canonical SMILES: [O-]C(=O)C=C.[Na+]
• InChI: InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
• InChIKey: NNMHYFLPFNGQFZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium prop-2-enoate
• IUPAC Traditional name: potassium acrylate; sodium acrylate
• Synonyms: SODIUM ACRYLATE; Acrylic acid sodium salt; Sodium acrylate; 丙烯酸 钠盐; 丙烯酸钠

Database IDs

• CAS Number: 7446-81-3
• EC Number: 231-209-7
• MDL Number: MFCD00067207
• PubChem SID: 24865514; 162096831
• PubChem CID: 4068533

CALCULATED PROPERTIES

• Acid pKa: 4.7158084
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31655344
• LogD (pH = 7.4): -2.0941725
• Log P: 0.5329473
• Molar Refractivity: 28.1285 cm^3
• Polarizability: 6.463116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: H2C=CHCO2Na

DETAILS

MP Biomedicals - 05218498

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 408220

Packaging
25, 100 g in glass bottle