(prop-2-enoyloxy)zincio prop-2-enoate

• ChemBase ID: 146943
• Molecular Formular: C6H6O4Zn
• Molecular Mass: 207.48944
• Monoisotopic Mass: 205.95575067
• SMILES: C=CC(=O)O[Zn]OC(=O)C=C
• Canonical SMILES: C=CC(=O)O[Zn]OC(=O)C=C
• InChI: InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
• InChIKey: XKMZOFXGLBYJLS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-enoyloxy)zincio prop-2-enoate
• IUPAC Traditional name: (prop-2-enoyloxy)zincio prop-2-enoate
• Synonyms: Acrylic acid zinc salt; Zinc acrylate; 丙烯酸 锌盐; 丙烯酸锌

Database IDs

• CAS Number: 14643-87-9
• EC Number: 238-692-3
• MDL Number: MFCD00067208
• PubChem SID: 162241135; 24865648
• PubChem CID: 59897739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0416
• LogD (pH = 7.4): 2.0416
• Log P: 2.0416
• Molar Refractivity: 32.7276 cm^3
• Polarizability: 16.410398 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240-244 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22-41-50
• Safety Statements: 26-36/37-39-61
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (H2C=CHCO2)2Zn

DETAILS

Sigma Aldrich - 409464

Packaging
250 g in glass bottle