2-[(2-formylphenoxycobaltio)oxy]benzaldehyde dihydrate

• ChemBase ID: 138988
• Molecular Formular: C14H14CoO6
• Molecular Mass: 337.19056
• Monoisotopic Mass: 337.01223317
• SMILES: c1ccc(c(c1)C=O)O[Co]Oc1ccccc1C=O.O.O
• Canonical SMILES: O=Cc1ccccc1O[Co]Oc1ccccc1C=O.O.O
• InChI: InChI=1S/2C7H6O2.Co.2H2O/c2*8-5-6-3-1-2-4-7(6)9;;;/h2*1-5,9H;;2*1H2/q;;+2;;/p-2
• InChIKey: UJABLPZHFYKNIW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-formylphenoxycobaltio)oxy]benzaldehyde dihydrate
• IUPAC Traditional name: 2-[(2-formylphenoxycobaltio)oxy]benzaldehyde dihydrate
• Synonyms: Bis(salicylaldehyde)cobalt(II) dihydrate; 双(水杨醛)钴(II) 二水合物

Database IDs

• CAS Number: 207124-67-2
• MDL Number: MFCD00167295
• PubChem SID: 162233239; 24856286
• PubChem CID: 71310201

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6978
• LogD (pH = 7.4): 2.6978
• Log P: 2.6978
• Molar Refractivity: 66.817 cm^3
• Polarizability: 28.214003 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: [HCOC6H4-2-(O-)]2Co·2H2O